For citations & permissions, please see: Citations & Permissions - Wiley Science Solutions*

*Links on SpectraBase are not permalinks.
NSI-189
SpectraBase Compound ID B3fil7INixt
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
Mol Weight 366.51 g/mol
Molecular Formula C22H30N4O
Exact Mass 366.241962 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

View the Full Spectrum for FREE!

The full spectrum can only be viewed using a FREE account.

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