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	222.6
[M+Na]+	534.21548	230.3
[M-H]-	510.21898	225.3
[M+NH4]+	529.26008	224.5
[M+K]+	550.18942	218.7
[M+H-H2O]+	494.22352	208.3
[M+HCOO]-	556.22446	228.2
[M+CH3COO]-	570.24011	227.0
[M+Na-2H]-	532.20093	217.3
[M]+	511.22571	221.7
[M]-	511.22681	221.7

Adduct

m/z

Predicted CCS (Å²)

[M+H]+

512.23354

222.6

[M+Na]+

534.21548

230.3

[M-H]-

510.21898

225.3

[M+NH4]+

529.26008

224.5

[M+K]+

550.18942

218.7

[M+H-H2O]+

494.22352

208.3

[M+HCOO]-

556.22446

228.2

[M+CH3COO]-

570.24011

227.0

[M+Na-2H]-

532.20093

217.3

[M]+

511.22571

221.7

[M]-

511.22681

221.7

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

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