PubChemLite - 60960-00-1 (C29H39N5O2)

Structural Information

Molecular Formula

SMILES

CCCC1CN(CCN1CC2=NC3=CC=CC=C3N2CCC(=O)C4=CC=CC=C4)CC(=O)NCCC

InChI

InChI=1S/C29H39N5O2/c1-3-10-24-20-32(22-29(36)30-16-4-2)18-19-33(24)21-28-31-25-13-8-9-14-26(25)34(28)17-15-27(35)23-11-6-5-7-12-23/h5-9,11-14,24H,3-4,10,15-22H2,1-2H3,(H,30,36)

InChIKey

HPPJOMKQWVEAHA-UHFFFAOYSA-N

Compound name

2-[4-[[1-(3-oxo-3-phenylpropyl)benzimidazol-2-yl]methyl]-3-propylpiperazin-1-yl]-N-propylacetamide

Related CIDs

2D Structure

Predicted Collision Cross Section

m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Å²) per adduct calculated using CCSbase.
Adduct	m/z	Predicted CCS (Å²)
[M+H]+	490.31764	224.9
[M+Na]+	512.29958	227.3
[M-H]-	488.30308	228.6
[M+NH4]+	507.34418	228.3
[M+K]+	528.27352	219.7
[M+H-H2O]+	472.30762	211.3
[M+HCOO]-	534.30856	237.2
[M+CH3COO]-	548.32421	244.2
[M+Na-2H]-	510.28503	221.3
[M]+	489.30981	225.8
[M]-	489.31091	225.8

Adduct

m/z

Predicted CCS (Å²)

[M+H]+

490.31764

224.9

[M+Na]+

512.29958

227.3

[M-H]-

488.30308

228.6

[M+NH4]+

507.34418

228.3

[M+K]+

528.27352

219.7

[M+H-H2O]+

472.30762

211.3

[M+HCOO]-

534.30856

237.2

[M+CH3COO]-

548.32421

244.2

[M+Na-2H]-

510.28503

221.3

[M]+

489.30981

225.8

[M]-

489.31091

225.8

m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Å²) per adduct calculated using CCSbase.

60960-00-1

Structural Information

2D Structure

Profile

Predicted Collision Cross Section

Literature stripe

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