PubChemLite - Ethyl 1-((2'-(1h-tetrazol-5-yl)-(1,1'-biphenyl)-4-yl)methyl)-2-ethoxy-1h-benzo(d)imidazole-7-carboxylate (C26H24N6O3)

Structural Information

Molecular Formula

SMILES

CCOC1=NC2=CC=CC(=C2N1CC3=CC=C(C=C3)C4=CC=CC=C4C5=NNN=N5)C(=O)OCC

InChI

InChI=1S/C26H24N6O3/c1-3-34-25(33)21-10-7-11-22-23(21)32(26(27-22)35-4-2)16-17-12-14-18(15-13-17)19-8-5-6-9-20(19)24-28-30-31-29-24/h5-15H,3-4,16H2,1-2H3,(H,28,29,30,31)

InChIKey

BCPWNYREAURMOP-UHFFFAOYSA-N

Compound name

ethyl 2-ethoxy-3-[[4-[2-(2H-tetrazol-5-yl)phenyl]phenyl]methyl]benzimidazole-4-carboxylate

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]+	469.19826	212.0
[M+Na]+	491.18020	220.6
[M-H]-	467.18370	218.4
[M+NH4]+	486.22480	215.1
[M+K]+	507.15414	212.5
[M+H-H2O]+	451.18824	198.7
[M+HCOO]-	513.18918	227.0
[M+CH3COO]-	527.20483	219.0
[M+Na-2H]-	489.16565	210.8
[M]+	468.19043	216.9
[M]-	468.19153	216.9

Adduct

m/z

Predicted CCS (Å²)

[M+H]+

469.19826

212.0

[M+Na]+

491.18020

220.6

[M-H]-

467.18370

218.4

[M+NH4]+

486.22480

215.1

[M+K]+

507.15414

212.5

[M+H-H2O]+

451.18824

198.7

[M+HCOO]-

513.18918

227.0

[M+CH3COO]-

527.20483

219.0

[M+Na-2H]-

489.16565

210.8

[M]+

468.19043

216.9

[M]-

468.19153

216.9

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

Ethyl 1-((2'-(1h-tetrazol-5-yl)-(1,1'-biphenyl)-4-yl)methyl)-2-ethoxy-1h-benzo(d)imidazole-7-carboxylate

Structural Information

2D Structure

Profile

Predicted Collision Cross Section

Literature stripe

Patent stripe