PubChemLite - Gnf-pf-364 (C27H18Cl2N4O2)

Structural Information

Molecular Formula

SMILES

C1=CC(=CC=C1C2=NC3=C(N2)C=C(C=C3)NC(=O)C4=CC=C(C=C4)Cl)NC(=O)C5=CC=C(C=C5)Cl

InChI

InChI=1S/C27H18Cl2N4O2/c28-19-7-1-17(2-8-19)26(34)30-21-11-5-16(6-12-21)25-32-23-14-13-22(15-24(23)33-25)31-27(35)18-3-9-20(29)10-4-18/h1-15H,(H,30,34)(H,31,35)(H,32,33)

InChIKey

WLBJJWICAOVTHR-UHFFFAOYSA-N

Compound name

4-chloro-N-[4-[6-[(4-chlorobenzoyl)amino]-1H-benzimidazol-2-yl]phenyl]benzamide

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]+	501.08798	215.4
[M+Na]+	523.06992	223.8
[M-H]-	499.07342	224.9
[M+NH4]+	518.11452	221.7
[M+K]+	539.04386	214.2
[M+H-H2O]+	483.07796	204.3
[M+HCOO]-	545.07890	226.4
[M+CH3COO]-	559.09455	222.8
[M+Na-2H]-	521.05537	216.6
[M]+	500.08015	219.0
[M]-	500.08125	219.0

Adduct

m/z

Predicted CCS (Å²)

[M+H]+

501.08798

215.4

[M+Na]+

523.06992

223.8

[M-H]-

499.07342

224.9

[M+NH4]+

518.11452

221.7

[M+K]+

539.04386

214.2

[M+H-H2O]+

483.07796

204.3

[M+HCOO]-

545.07890

226.4

[M+CH3COO]-

559.09455

222.8

[M+Na-2H]-

521.05537

216.6

[M]+

500.08015

219.0

[M]-

500.08125

219.0

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

Gnf-pf-364

Structural Information

2D Structure

Profile

Predicted Collision Cross Section

Literature stripe

Patent stripe