| SpectraBase Spectrum ID |
Lots10kxXU4 |
| Name |
Quetiapine-M (Desalkyl) ME |
| Classification |
Pharmaceutical drug artifact derivative |
| Copyright |
Copyright © 2024 DigiLab GmbH and Wiley-VCH GmbH. All Rights Reserved. |
| Exact Mass |
309.129968798 u |
| Formula |
C18H19N3S |
| InChI |
InChI=1S/C18H19N3S/c1-20-10-12-21(13-11-20)18-14-6-2-4-8-16(14)22-17-9-5-3-7-15(17)19-18/h2-9H,10-13H2,1H3 |
| InChIKey |
SFMINLHQDVFHIR-UHFFFAOYSA-N |
| Ionization Type |
Electron Ionization (EI) |
| Molecular Weight |
309.431 g/mol |
| Nominal Mass |
309 u |
| Quality |
913 |
| Retention Index |
2530 |
| SMILES |
C=1(C2=C(SC=3C(N1)=CC=CC3)C=CC=C2)N1CCN(CC1)C |
| SPLASH |
splash10-03dr-4290000000-3b76f532d45f4b1fc32d |
| Source of Spectrum |
DigiLab GmbH (C) 2024 |
| Synonyms |
11-(4-methylpiperazin-1-yl)dibenzo[b,f][1,4]thiazepine |
| Technique |
GC/MS |
| Wiley ID |
DD2024_006215 |
