Pimozide
URL: https://massbank.eu/MassBank/RecordDisplay?id=MSBNK-Waters-WA002191
Dataset description:
This MassBank record with Accession MSBNK-Waters-WA002191 contains the MS mass spectrum of Pimozide with the InChIkey YVUQSNJEYSNKRX-UHFFFAOYSA-N.
Source: Pimozide
Chemical Info
| InChI | InChI=1S/C28H29F2N3O/c29-22-11-7-20(8-12-22)25(21-9-13-23(30)14-10-21)4-3-17-32-18-15-24(16-19-32)33-27-6-2-1-5-26(27)31-28(33)34/h1-2,5-14,24-25H,3-4,15-19H2,(H,31,34) |
|---|---|
| SMILES | C(C1N(C(=O)5)c(c4)c(N5)ccc4)CN(CCCC(c(c3)ccc(c3)F)c(c2)ccc(c2)F)CC1 |
| InChI Key | YVUQSNJEYSNKRX-UHFFFAOYSA-N |
| Molecular Formula | C28H29F2N3O |
| Exact Mass | 461.228 g/mol |
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Additional Information
| Field | Value |
|---|---|
| Data last updated | January 11, 2024 |
| Metadata last updated | January 11, 2024 |
| Created | January 11, 2024 |
| Format | HTML |
| License | Attribution-NonCommercial 4.0 International (CC BY-NC 4.0) |
| Id | f6d4e0a9-31f8-413c-9679-f25219d7a492 |
| Package id | msbnk-waters-wa002191 |
| Resource type | HTML |
| State | active |