PubChemLite - 6-(4,5-dihydro-1h-imidazol-2-yl)-2-[2-(4-ethoxyphenyl)-3h-benzimidazol-5-yl]-1h-benzimidazole (C25H22N6O)

Structural Information

Molecular Formula

SMILES

CCOC1=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/C25H22N6O/c1-2-32-18-7-3-15(4-8-18)24-28-19-10-6-17(14-22(19)30-24)25-29-20-9-5-16(13-21(20)31-25)23-26-11-12-27-23/h3-10,13-14H,2,11-12H2,1H3,(H,26,27)(H,28,30)(H,29,31)

InChIKey

QDZCHHWFZPLYME-UHFFFAOYSA-N

Compound name

6-(4,5-dihydro-1H-imidazol-2-yl)-2-[2-(4-ethoxyphenyl)-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]+	423.19280	196.1
[M+Na]+	445.17474	206.1
[M-H]-	421.17824	202.2
[M+NH4]+	440.21934	203.1
[M+K]+	461.14868	196.0
[M+H-H2O]+	405.18278	185.1
[M+HCOO]-	467.18372	210.2
[M+CH3COO]-	481.19937	204.0
[M+Na-2H]-	443.16019	194.8
[M]+	422.18497	196.6
[M]-	422.18607	196.6

Adduct

m/z

Predicted CCS (Å²)

[M+H]+

423.19280

196.1

[M+Na]+

445.17474

206.1

[M-H]-

421.17824

202.2

[M+NH4]+

440.21934

203.1

[M+K]+

461.14868

196.0

[M+H-H2O]+

405.18278

185.1

[M+HCOO]-

467.18372

210.2

[M+CH3COO]-

481.19937

204.0

[M+Na-2H]-

443.16019

194.8

[M]+

422.18497

196.6

[M]-

422.18607

196.6

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-ethoxyphenyl)-3h-benzimidazol-5-yl]-1h-benzimidazole

Structural Information

2D Structure

Profile

Predicted Collision Cross Section

Literature stripe

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