| SpectraBase Spectrum ID |
1AlK0lRI7y1 |
| Name |
Quetiapine-M/A (N-Desalkyl,desulfo) ME |
| Classification |
Pharmaceutical drug metabolite, artifact derivative |
| Copyright |
Copyright © 2024 DigiLab GmbH and Wiley-VCH GmbH. All Rights Reserved. |
| Exact Mass |
277.157897624 u |
| Formula |
C18H19N3 |
| InChI |
InChI=1S/C18H19N3/c1-20-10-12-21(13-11-20)18-16-8-3-2-6-14(16)15-7-4-5-9-17(15)19-18/h2-9H,10-13H2,1H3 |
| InChIKey |
ZVJIBTNUNUXAIO-UHFFFAOYSA-N |
| Ionization Type |
Electron Ionization (EI) |
| Molecular Weight |
277.371 g/mol |
| Nominal Mass |
277 u |
| Quality |
906 |
| Retention Index |
2350 |
| SMILES |
C=12C(N3CCN(CC3)C)=NC=3C(C1C=CC=C2)=CC=CC3 |
| SPLASH |
splash10-0a4i-3970000000-585c8be7463111a12b92 |
| Source of Spectrum |
DigiLab GmbH (C) 2024 |
| Synonyms |
6-(4-methylpiperazin-1-yl)phenanthridine |
| Technique |
GC/MS |
| Wiley ID |
DD2024_009281 |
