PubChemLite - (bip)2b (C28H20N6O2)

Structural Information

Molecular Formula

SMILES

C1=CC=C2C(=C1)NC(=N2)C3=CC=C(C=C3)NC(=O)C4=CC=C(C=C4)C(=O)NC5=NC6=CC=CC=C6N5

InChI

InChI=1S/C28H20N6O2/c35-26(29-20-15-13-17(14-16-20)25-30-21-5-1-2-6-22(21)31-25)18-9-11-19(12-10-18)27(36)34-28-32-23-7-3-4-8-24(23)33-28/h1-16H,(H,29,35)(H,30,31)(H2,32,33,34,36)

InChIKey

MRKAZGOARIAQGB-UHFFFAOYSA-N

Compound name

4-N-(1H-benzimidazol-2-yl)-1-N-[4-(1H-benzimidazol-2-yl)phenyl]benzene-1,4-dicarboxamide

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]+	473.17204	203.6
[M+Na]+	495.15398	210.7
[M-H]-	471.15748	212.6
[M+NH4]+	490.19858	208.7
[M+K]+	511.12792	201.6
[M+H-H2O]+	455.16202	192.2
[M+HCOO]-	517.16296	221.7
[M+CH3COO]-	531.17861	210.9
[M+Na-2H]-	493.13943	207.7
[M]+	472.16421	203.3
[M]-	472.16531	203.3

Adduct

m/z

Predicted CCS (Å²)

[M+H]+

473.17204

203.6

[M+Na]+

495.15398

210.7

[M-H]-

471.15748

212.6

[M+NH4]+

490.19858

208.7

[M+K]+

511.12792

201.6

[M+H-H2O]+

455.16202

192.2

[M+HCOO]-

517.16296

221.7

[M+CH3COO]-

531.17861

210.9

[M+Na-2H]-

493.13943

207.7

[M]+

472.16421

203.3

[M]-

472.16531

203.3

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

(bip)2b

Structural Information

2D Structure

Profile

Predicted Collision Cross Section

Literature stripe

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