| SpectraBase Spectrum ID |
7EieaeLqA7B |
| Name |
Amodiaquine |
| CAS Registry Number |
86-42-0 |
| Collision Energy |
5 eV |
| Copyright |
Copyright © 2012-2025 Herbert Oberacher. All Rights Reserved. |
| Exact Mass |
355.145140039 u |
| Formula |
C20H22ClN3O |
| InChI |
InChI=1S/C20H22ClN3O/c1-3-24(4-2)13-14-11-16(6-8-20(14)25)23-18-9-10-22-19-12-15(21)5-7-17(18)19/h5-12,25H,3-4,13H2,1-2H3,(H,22,23) |
| InChIKey |
OVCDSSHSILBFBN-UHFFFAOYSA-N |
| Instrument Name |
QStar XL, AB Sciex |
| Ion Polarity |
P |
| Ionization Type |
ESI+ |
| Molecular Weight |
355.869 g/mol |
| Nominal Mass |
355 u |
| Precursor Ion |
[M+H]+ |
| Precursor m/z |
356.152 |
| SMILES |
N(C1=CC(=C(O)C=C1)CN(CC)CC)C1=C2C(=NC=C1)C=C(Cl)C=C2 |
| Selected Ion Charge |
1 |
| Source of Spectrum |
Herbert Oberacher, Institute of Legal Medicine, Innsbruck/Austria |
| Spectrum Type |
ms2 |
| Synonyms |
4-[(7-chloroquinolin-4-yl)amino]-2-(diethylaminomethyl)phenol |
| Technique |
Q-TOF |
| Wiley ID |
MSforID_+_56.9 |
