ethyl (E)-7-[3-(4-fluorophenyl)-2-phenyl-5-propan-2-ylimidazol-4-yl]-5-hydroxy-3-oxohept-6-enoate

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 唑类
• 英文名称: ethyl (E)-7-[3-(4-fluorophenyl)-2-phenyl-5-propan-2-ylimidazol-4-yl]-5-hydroxy-3-oxohept-6-enoate
• 化学式: C₂₇H₂₉FN₂O₄
• 分子量: 464.5
• InChiKey: DAKSKMZHQSLQEF-CCEZHUSRSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  4.5
• 重原子数：
  34
• 可旋转键数：
  11
• 环数：
  3.0
• sp3杂化的碳原子比例：
  0.3
• 拓扑面积：
  81.4
• 氢给体数：
  1
• 氢受体数：
  6

反应信息

• 作为反应物：
  描述：

  ethyl (E)-7-[3-(4-fluorophenyl)-2-phenyl-5-propan-2-ylimidazol-4-yl]-5-hydroxy-3-oxohept-6-enoate 生成 7-[1-(4-氟苯基)-4-异丙基-2-苯基-1H-咪唑-5-基]-3,5-二羟基-反-6-庚酸乙酯
  参考文献：
  名称：

  WAREING, JAMES R.

  摘要：

  DOI：
• 作为产物：
  描述：

  (E)-3-[3-(4-fluorophenyl)-2-phenyl-5-propan-2-ylimidazol-4-yl]prop-2-enal 、 乙酰乙酸乙酯 生成 ethyl (E)-7-[3-(4-fluorophenyl)-2-phenyl-5-propan-2-ylimidazol-4-yl]-5-hydroxy-3-oxohept-6-enoate
  参考文献：
  名称：

  WAREING, JAMES R.

  摘要：

  DOI：

文献信息

• Generation of discovery ion currents and mass spectrometry and uses thereof
  申请人：Advion Inc.

  公开号：US10037872B1

  公开（公告）日：2018-07-31

  Systems for the generation of discovery ion currents. One of the systems includes a mass spectrometer providing ion current measurement. The system includes a controller coupled to the mass spectrometer. The system also includes a liquid handler coupled to the controller and the mass spectrometer. The controller is configured to identify a base average ion current of each mass to charge interval, the mass to charge interval comprising at least one mass to charge channel. The controller is configured to calculate a relative change between a current ion current measurement for a charge interval to the base average for the charge interval. The controller is configured to compare the relative change to a threshold. The controller is also configured to, in response to determining that the relative change exceeds the threshold, start fraction collection using the liquid handler.

  用于产生发现离子电流的系统。其中一个系统包括一个提供离子电流测量的质谱仪。该系统包括一个与质谱仪相连的控制器。系统还包括与控制器和质谱仪连接的液体处理装置。控制器被配置为识别每个质荷区间的基本平均离子电流，质荷区间包括至少一个质荷通道。控制器被配置为计算电荷区间的当前离子电流测量值与电荷区间的基准平均值之间的相对变化。控制器配置为将相对变化与阈值进行比较。控制器还配置为，在确定相对变化超过阈值时，使用液体处理器启动馏分收集。
• WAREING, JAMES R.
  作者：WAREING, JAMES R.

  DOI：——

  日期：——
• GENERATION OF DISCOVERY ION CURRENTS AND MASS SPECTROMETRY AND USES THEREOF
  申请人：Advion Inc.

  公开号：US20180204711A1

  公开（公告）日：2018-07-19

  Systems for the generation of discovery ion currents. One of the systems includes a mass spectrometer providing ion current measurement. The system includes a controller coupled to the mass spectrometer. The system also includes a liquid handler coupled to the controller and the mass spectrometer. The controller is configured to identify a base average ion current of each mass to charge interval, the mass to charge interval comprising at least one mass to charge channel. The controller is configured to calculate a relative change between a current ion current measurement for a charge interval to the base average for the charge interval. The controller is configured to compare the relative change to a threshold. The controller is also configured to, in response to determining that the relative change exceeds the threshold, start fraction collection using the liquid handler.
• US9779922B1
  申请人：——

  公开号：US9779922B1

  公开（公告）日：2017-10-03