PubChemLite - Schembl14599548 (C32H25N9)

Structural Information

Molecular Formula

SMILES

C1CN=C(N1)C2=CC3=C(C=C2)NC(=N3)C4=CC5=C(C=C4)C6=C(N5)C=C(C=C6)C7=NC8=C(N7)C=CC(=C8)C9=NCCN9

InChI

InChI=1S/C32H25N9/c1-5-21-22-6-2-20(32-39-24-8-4-18(16-28(24)41-32)30-35-11-12-36-30)14-26(22)37-25(21)13-19(1)31-38-23-7-3-17(15-27(23)40-31)29-33-9-10-34-29/h1-8,13-16,37H,9-12H2,(H,33,34)(H,35,36)(H,38,40)(H,39,41)

InChIKey

UHXIPLNLPZZBRG-UHFFFAOYSA-N

Compound name

2,7-bis[5-(4,5-dihydro-1H-imidazol-2-yl)-1H-benzimidazol-2-yl]-9H-carbazole

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]+	536.23055	197.5
[M+Na]+	558.21249	207.1
[M-H]-	534.21599	206.8
[M+NH4]+	553.25709	200.9
[M+K]+	574.18643	196.4
[M+H-H2O]+	518.22053	188.8
[M+HCOO]-	580.22147	205.7
[M+CH3COO]-	594.23712	203.6
[M+Na-2H]-	556.19794	190.5
[M]+	535.22272	197.0
[M]-	535.22382	197.0

Adduct

m/z

Predicted CCS (Å²)

[M+H]+

536.23055

197.5

[M+Na]+

558.21249

207.1

[M-H]-

534.21599

206.8

[M+NH4]+

553.25709

200.9

[M+K]+

574.18643

196.4

[M+H-H2O]+

518.22053

188.8

[M+HCOO]-

580.22147

205.7

[M+CH3COO]-

594.23712

203.6

[M+Na-2H]-

556.19794

190.5

[M]+

535.22272

197.0

[M]-

535.22382

197.0

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

Schembl14599548

Structural Information

2D Structure

Profile

Predicted Collision Cross Section

Literature stripe

Patent stripe