| SpectraBase Spectrum ID |
JG37eim9Qn2 |
| Name |
Quetiapine-M/A (-CO2,-CO2,desulfo) |
| Classification |
Pharmaceutical drug metabolite |
| Copyright |
Copyright © 2024 DigiLab GmbH and Wiley-VCH GmbH. All Rights Reserved. |
| Exact Mass |
321.184112372 u |
| Formula |
C20H23N3O |
| InChI |
InChI=1S/C20H23N3O/c1-24-15-14-22-10-12-23(13-11-22)20-18-8-3-2-6-16(18)17-7-4-5-9-19(17)21-20/h2-9H,10-15H2,1H3 |
| InChIKey |
CGPMXAVFEHGIAH-UHFFFAOYSA-N |
| Ionization Type |
Electron Ionization (EI) |
| Molecular Weight |
321.424 g/mol |
| Nominal Mass |
321 u |
| Quality |
809 |
| Retention Index |
2659 |
| SMILES |
C=12C(N3CCN(CC3)CCOC)=NC=3C(C1C=CC=C2)=CC=CC3 |
| SPLASH |
splash10-0a4i-3690000000-0a3dbd1f608d1ce236ab |
| Source of Spectrum |
DigiLab GmbH (C) 2024 |
| Synonyms |
6-(4-(2-methoxyethyl)piperazin-1-yl)phenanthridine |
| Technique |
GC/MS |
| Wiley ID |
DD2024_009286 |
