PubChemLite - 148344-24-5 (C24H26N8)

Structural Information

Molecular Formula

SMILES

C1CN=C(N1)C2=CC3=C(C=C2)N=C(N3)CCCCC4=NC5=C(N4)C=C(C=C5)C6=NCCN6

InChI

InChI=1S/C24H26N8/c1(3-21-29-17-7-5-15(13-19(17)31-21)23-25-9-10-26-23)2-4-22-30-18-8-6-16(14-20(18)32-22)24-27-11-12-28-24/h5-8,13-14H,1-4,9-12H2,(H,25,26)(H,27,28)(H,29,31)(H,30,32)

InChIKey

HSOKEDVIVDSCPU-UHFFFAOYSA-N

Compound name

6-(4,5-dihydro-1H-imidazol-2-yl)-2-[4-[6-(4,5-dihydro-1H-imidazol-2-yl)-1H-benzimidazol-2-yl]butyl]-1H-benzimidazole

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]+	427.23534	192.4
[M+Na]+	449.21728	200.4
[M-H]-	425.22078	195.7
[M+NH4]+	444.26188	198.0
[M+K]+	465.19122	190.8
[M+H-H2O]+	409.22532	181.5
[M+HCOO]-	471.22626	202.7
[M+CH3COO]-	485.24191	198.7
[M+Na-2H]-	447.20273	187.4
[M]+	426.22751	190.5
[M]-	426.22861	190.5

Adduct

m/z

Predicted CCS (Å²)

[M+H]+

427.23534

192.4

[M+Na]+

449.21728

200.4

[M-H]-

425.22078

195.7

[M+NH4]+

444.26188

198.0

[M+K]+

465.19122

190.8

[M+H-H2O]+

409.22532

181.5

[M+HCOO]-

471.22626

202.7

[M+CH3COO]-

485.24191

198.7

[M+Na-2H]-

447.20273

187.4

[M]+

426.22751

190.5

[M]-

426.22861

190.5

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

148344-24-5

Structural Information

2D Structure

Profile

Predicted Collision Cross Section

Literature stripe

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