PubChemLite - Bms-695735 (C26H31ClFN7O)

Structural Information

Molecular Formula

SMILES

CC1=CC(=CC2=C1N=C(N2)C3=C(C=CNC3=O)NCCN4C=C(C=N4)Cl)C5CCN(CC5)CCCF

InChI

InChI=1S/C26H31ClFN7O/c1-17-13-19(18-4-10-34(11-5-18)9-2-6-28)14-22-24(17)33-25(32-22)23-21(3-7-30-26(23)36)29-8-12-35-16-20(27)15-31-35/h3,7,13-16,18H,2,4-6,8-12H2,1H3,(H,32,33)(H2,29,30,36)

InChIKey

VWELCPLMPPEKOL-UHFFFAOYSA-N

Compound name

4-[2-(4-chloropyrazol-1-yl)ethylamino]-3-[6-[1-(3-fluoropropyl)piperidin-4-yl]-4-methyl-1H-benzimidazol-2-yl]-1H-pyridin-2-one

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]+	512.23354	223.6
[M+Na]+	534.21548	236.8
[M+NH4]+	529.26008	227.3
[M+K]+	550.18942	232.2
[M-H]-	510.21898	226.5
[M+Na-2H]-	532.20093	228.7
[M]+	511.22571	226.2
[M]-	511.22681	226.2

Adduct

m/z

Predicted CCS (Å²)

[M+H]+

512.23354

223.6

[M+Na]+

534.21548

236.8

[M+NH4]+

529.26008

227.3

[M+K]+

550.18942

232.2

[M-H]-

510.21898

226.5

[M+Na-2H]-

532.20093

228.7

[M]+

511.22571

226.2

[M]-

511.22681

226.2

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

Bms-695735

Structural Information

2D Structure

Profile

Predicted Collision Cross Section

Literature stripe

Patent stripe