Mepacrine
URL: https://massbank.eu/MassBank/RecordDisplay?id=MSBNK-Fiocruz-FIO00469
Dataset description:
This MassBank record with Accession MSBNK-Fiocruz-FIO00469 contains the MS2 mass spectrum of Mepacrine with the InChIkey GPKJTRJOBQGKQK-UHFFFAOYSA-N.
Source: Mepacrine
Chemical Info
| InChI | InChI=1S/C23H30ClN3O/c1-5-27(6-2)13-7-8-16(3)25-23-19-11-9-17(24)14-22(19)26-21-12-10-18(28-4)15-20(21)23/h9-12,14-16H,5-8,13H2,1-4H3,(H,25,26) |
|---|---|
| SMILES | CCN(CC)CCCC(C)Nc(c21)c(c3)c(ccc(OC)3)nc(cc(Cl)cc2)1 |
| InChI Key | GPKJTRJOBQGKQK-UHFFFAOYSA-N |
| Molecular Formula | C23H30ClN3O |
| Exact Mass | 399.208 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 | 814cd82f-4c29-4242-b972-ab09045805b2 |
| Package id | msbnk-fiocruz-fio00469 |
| Resource type | HTML |
| State | active |