PubChemLite - 6-(4,5-dihydro-1h-imidazol-2-yl)-2-[2-(4-methoxyphenyl)-3h-benzimidazol-5-yl]-1h-benzimidazole (C24H20N6O)

Structural Information

Molecular Formula

SMILES

COC1=CC=C(C=C1)C2=NC3=C(N2)C=C(C=C3)C4=NC5=C(N4)C=C(C=C5)C6=NCCN6

InChI

InChI=1S/C24H20N6O/c1-31-17-6-2-14(3-7-17)23-27-18-9-5-16(13-21(18)29-23)24-28-19-8-4-15(12-20(19)30-24)22-25-10-11-26-22/h2-9,12-13H,10-11H2,1H3,(H,25,26)(H,27,29)(H,28,30)

InChIKey

LMXIUXDATDXTBM-UHFFFAOYSA-N

Compound name

6-(4,5-dihydro-1H-imidazol-2-yl)-2-[2-(4-methoxyphenyl)-3H-benzimidazol-5-yl]-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]+	409.17714	192.2
[M+Na]+	431.15908	202.6
[M-H]-	407.16258	198.5
[M+NH4]+	426.20368	199.8
[M+K]+	447.13302	192.7
[M+H-H2O]+	391.16712	181.4
[M+HCOO]-	453.16806	206.6
[M+CH3COO]-	467.18371	200.5
[M+Na-2H]-	429.14453	191.4
[M]+	408.16931	192.5
[M]-	408.17041	192.5

Adduct

m/z

Predicted CCS (Å²)

[M+H]+

409.17714

192.2

[M+Na]+

431.15908

202.6

[M-H]-

407.16258

198.5

[M+NH4]+

426.20368

199.8

[M+K]+

447.13302

192.7

[M+H-H2O]+

391.16712

181.4

[M+HCOO]-

453.16806

206.6

[M+CH3COO]-

467.18371

200.5

[M+Na-2H]-

429.14453

191.4

[M]+

408.16931

192.5

[M]-

408.17041

192.5

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

6-(4,5-dihydro-1h-imidazol-2-yl)-2-[2-(4-methoxyphenyl)-3h-benzimidazol-5-yl]-1h-benzimidazole

Structural Information

2D Structure

Profile

Predicted Collision Cross Section

Literature stripe

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