PubChemLite - Cpl304110 (C25H30N6O2)

Structural Information

Molecular Formula

SMILES

CN1CCN(CC1)C2=CC3=C(C=C2)N=C(N3)C4=NNC(=C4)CCC5=CC(=CC(=C5)OC)OC

InChI

InChI=1S/C25H30N6O2/c1-30-8-10-31(11-9-30)19-6-7-22-23(15-19)27-25(26-22)24-14-18(28-29-24)5-4-17-12-20(32-2)16-21(13-17)33-3/h6-7,12-16H,4-5,8-11H2,1-3H3,(H,26,27)(H,28,29)

InChIKey

QHCGPJPIPKDWAT-UHFFFAOYSA-N

Compound name

2-[5-[2-(3,5-dimethoxyphenyl)ethyl]-1H-pyrazol-3-yl]-6-(4-methylpiperazin-1-yl)-1H-benzimidazole

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]+	447.25028	211.7
[M+Na]+	469.23222	226.0
[M+NH4]+	464.27682	216.5
[M+K]+	485.20616	222.3
[M-H]-	445.23572	215.7
[M+Na-2H]-	467.21767	218.1
[M]+	446.24245	214.7
[M]-	446.24355	214.7

Adduct

m/z

Predicted CCS (Å²)

[M+H]+

447.25028

211.7

[M+Na]+

469.23222

226.0

[M+NH4]+

464.27682

216.5

[M+K]+

485.20616

222.3

[M-H]-

445.23572

215.7

[M+Na-2H]-

467.21767

218.1

[M]+

446.24245

214.7

[M]-

446.24355

214.7

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

Cpl304110

Structural Information

2D Structure

Profile

Predicted Collision Cross Section

Literature stripe

Patent stripe