PubChemLite - 4-acetyl-n-[4-[6-[(4-acetylbenzoyl)amino]-1h-benzimidazol-2-yl]phenyl]benzamide (C31H24N4O4)

Structural Information

Molecular Formula

SMILES

CC(=O)C1=CC=C(C=C1)C(=O)NC2=CC=C(C=C2)C3=NC4=C(N3)C=C(C=C4)NC(=O)C5=CC=C(C=C5)C(=O)C

InChI

InChI=1S/C31H24N4O4/c1-18(36)20-3-7-23(8-4-20)30(38)32-25-13-11-22(12-14-25)29-34-27-16-15-26(17-28(27)35-29)33-31(39)24-9-5-21(6-10-24)19(2)37/h3-17H,1-2H3,(H,32,38)(H,33,39)(H,34,35)

InChIKey

SOIOSWFPHKCDEX-UHFFFAOYSA-N

Compound name

4-acetyl-N-[4-[6-[(4-acetylbenzoyl)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]+	517.18703	223.2
[M+Na]+	539.16897	227.4
[M-H]-	515.17247	233.5
[M+NH4]+	534.21357	226.4
[M+K]+	555.14291	221.1
[M+H-H2O]+	499.17701	211.1
[M+HCOO]-	561.17795	240.9
[M+CH3COO]-	575.19360	229.4
[M+Na-2H]-	537.15442	222.1
[M]+	516.17920	223.6
[M]-	516.18030	223.6

Adduct

m/z

Predicted CCS (Å²)

[M+H]+

517.18703

223.2

[M+Na]+

539.16897

227.4

[M-H]-

515.17247

233.5

[M+NH4]+

534.21357

226.4

[M+K]+

555.14291

221.1

[M+H-H2O]+

499.17701

211.1

[M+HCOO]-

561.17795

240.9

[M+CH3COO]-

575.19360

229.4

[M+Na-2H]-

537.15442

222.1

[M]+

516.17920

223.6

[M]-

516.18030

223.6

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

4-acetyl-n-[4-[6-[(4-acetylbenzoyl)amino]-1h-benzimidazol-2-yl]phenyl]benzamide

Structural Information

2D Structure

Profile

Predicted Collision Cross Section

Literature stripe

Patent stripe