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

*Links on SpectraBase are not permalinks.

5-Phenyl-2-[4'-(4"-(2"'-pyrimidinyl)-1"-piperazinyl)butyl]-5,6,11,11a-tetrahydro-1H-imidazo[1',5' : 1,6]pyrido[3,4-b]indole-1,3(2H)-dione

View entire compound with spectra: 1 MS (GC)

5-Phenyl-2-[4'-(4"-(2"'-pyrimidinyl)-1"-piperazinyl)butyl]-5,6,11,11a-tetrahydro-1H-imidazo[1',5' : 1,6]pyrido[3,4-b]indole-1,3(2H)-dione
SpectraBase Compound ID CdgqKRiwUoc
InChI InChI=1S/C31H33N7O2/c39-29-26-21-24-23-11-4-5-12-25(23)34-27(24)28(22-9-2-1-3-10-22)38(26)31(40)37(29)16-7-6-15-35-17-19-36(20-18-35)30-32-13-8-14-33-30/h1-5,8-14,26,28,34H,6-7,15-21H2
InChIKey PYAJCDJRHVWKSQ-UHFFFAOYSA-N
Mol Weight 535.7 g/mol
Molecular Formula C31H33N7O2
Exact Mass 535.269573 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 9Y8OHBSOLjf
Name 5-Phenyl-2-[4'-(4"-(2"'-pyrimidinyl)-1"-piperazinyl)butyl]-5,6,11,11a-tetrahydro-1H-imidazo[1',5' : 1,6]pyrido[3,4-b]indole-1,3(2H)-dione
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C31H33N7O2
InChI InChI=1S/C31H33N7O2/c39-29-26-21-24-23-11-4-5-12-25(23)34-27(24)28(22-9-2-1-3-10-22)38(26)31(40)37(29)16-7-6-15-35-17-19-36(20-18-35)30-32-13-8-14-33-30/h1-5,8-14,26,28,34H,6-7,15-21H2
InChIKey PYAJCDJRHVWKSQ-UHFFFAOYSA-N
Molecular Weight 535.652 g/mol
SMILES [nH]1c2ccccc2c2CC3C(N(C(N3C(c12)c1ccccc1)=O)CCCCN1CCN(c2ncccn2)CC1)=O
SPLASH splash10-00p0-0830940000-79886617c4908bc0bbe5
Source of Spectrum Y-31-1239-6
Wiley ID 761647