PubChemLite - Azilsartan (C25H20N4O5)

Structural Information

Molecular Formula

SMILES

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

InChI

InChI=1S/C25H20N4O5/c1-2-33-24-26-20-9-5-8-19(23(30)31)21(20)29(24)14-15-10-12-16(13-11-15)17-6-3-4-7-18(17)22-27-25(32)34-28-22/h3-13H,2,14H2,1H3,(H,30,31)(H,27,28,32)

InChIKey

KGSXMPPBFPAXLY-UHFFFAOYSA-N

Compound name

2-ethoxy-3-[[4-[2-(5-oxo-4H-1,2,4-oxadiazol-3-yl)phenyl]phenyl]methyl]benzimidazole-4-carboxylic acid

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]+	457.15065	206.2
[M+Na]+	479.13259	215.7
[M-H]-	455.13609	215.2
[M+NH4]+	474.17719	210.6
[M+K]+	495.10653	209.9
[M+H-H2O]+	439.14063	195.3
[M+HCOO]-	501.14157	222.5
[M+CH3COO]-	515.15722	214.8
[M+Na-2H]-	477.11804	205.0
[M]+	456.14282	211.6
[M]-	456.14392	211.6

Adduct

m/z

Predicted CCS (Å²)

[M+H]+

457.15065

206.2

[M+Na]+

479.13259

215.7

[M-H]-

455.13609

215.2

[M+NH4]+

474.17719

210.6

[M+K]+

495.10653

209.9

[M+H-H2O]+

439.14063

195.3

[M+HCOO]-

501.14157

222.5

[M+CH3COO]-

515.15722

214.8

[M+Na-2H]-

477.11804

205.0

[M]+

456.14282

211.6

[M]-

456.14392

211.6

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

Azilsartan

Structural Information

2D Structure

Profile

Predicted Collision Cross Section

Literature stripe

Patent stripe