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

*Links on SpectraBase are not permalinks.

N-(2-(4-Benzylpiperazin-1-yl)-5-bromophenyl)-2-cyanoacetamide

View entire compound with spectra: 1 FTIR, and 1 MS (GC)

N-(2-(4-Benzylpiperazin-1-yl)-5-bromophenyl)-2-cyanoacetamide
SpectraBase Compound ID CSl6rPpvHRm
InChI InChI=1S/C20H21BrN4O/c21-17-6-7-19(18(14-17)23-20(26)8-9-22)25-12-10-24(11-13-25)15-16-4-2-1-3-5-16/h1-7,14H,8,10-13,15H2,(H,23,26)
InChIKey TXPHRADKXXFVMM-UHFFFAOYSA-N
Mol Weight 413.32 g/mol
Molecular Formula C20H21BrN4O
Exact Mass 412.089874 g/mol

Vapor Phase (Gas) Infrared Spectrum

Vapor Phase (Gas) Infrared Spectrum

Subscribe to view the full spectrum.

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

SpectraBase Spectrum ID 5CDfOEAcfTw
Name N-(2-(4-Benzylpiperazin-1-yl)-5-bromophenyl)-2-cyanoacetamide
Comments Computed using SmartSpectra Model v1.42
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 412.089874311 u
Formula C20H21BrN4O
InChI InChI=1S/C20H21BrN4O/c21-17-6-7-19(18(14-17)23-20(26)8-9-22)25-12-10-24(11-13-25)15-16-4-2-1-3-5-16/h1-7,14H,8,10-13,15H2,(H,23,26)
InChIKey TXPHRADKXXFVMM-UHFFFAOYSA-N
Molecular Weight 413.319 g/mol
SMILES C1=CC(=C(NC(CC#N)=O)C=C1Br)N1CCN(CC1)CC1=CC=CC=C1
Spectrum/Structure Validation Score (Vapor Phase IR) 0.933572