| SpectraBase Spectrum ID |
5Vs4ezghJ0C |
| Name |
NSI-189 |
| Classification |
Pharmaceutical drug, sympathomimetic, antidepressant |
| Comments |
Spectrum verified by independent measurements in external laboratories |
| Copyright |
Copyright © 2024 DigiLab GmbH and Wiley-VCH GmbH. All Rights Reserved. |
| Exact Mass |
366.241961601 u |
| Formula |
C22H30N4O |
| InChI |
InChI=1S/C22H30N4O/c1-18(2)10-12-24-21-20(9-6-11-23-21)22(27)26-15-13-25(14-16-26)17-19-7-4-3-5-8-19/h3-9,11,18H,10,12-17H2,1-2H3,(H,23,24) |
| InChIKey |
DYTOQURYRYYNOR-UHFFFAOYSA-N |
| Ionization Type |
Electron Ionization (EI) |
| Molecular Weight |
366.509 g/mol |
| Nominal Mass |
366 u |
| Quality |
946 |
| Retention Index |
2984 |
| SMILES |
C=1(C(NCCC(C)C)=NC=CC1)C(N1CCN(CC=2C=CC=CC2)CC1)=O |
| SPLASH |
splash10-0007-6910000000-db87961aa76fd07d4f34 |
| Source of Spectrum |
DigiLab GmbH (C) 2024 |
| Synonyms |
(4-Benzylpiperazin-1-yl)-[2-(3-methylbutylamino)pyridin-3-yl]methanone |
| Technique |
GC/MS |
| Wiley ID |
DD2024_030587 |
