PubChemLite - Azilsartan medoxomil (C30H24N4O8)

Structural Information

Molecular Formula

SMILES

CCOC1=NC2=CC=CC(=C2N1CC3=CC=C(C=C3)C4=CC=CC=C4C5=NOC(=O)N5)C(=O)OCC6=C(OC(=O)O6)C

InChI

InChI=1S/C30H24N4O8/c1-3-38-28-31-23-10-6-9-22(27(35)39-16-24-17(2)40-30(37)41-24)25(23)34(28)15-18-11-13-19(14-12-18)20-7-4-5-8-21(20)26-32-29(36)42-33-26/h4-14H,3,15-16H2,1-2H3,(H,32,33,36)

InChIKey

QJFSABGVXDWMIW-UHFFFAOYSA-N

Compound name

(5-methyl-2-oxo-1,3-dioxol-4-yl)methyl 2-ethoxy-3-[[4-[2-(5-oxo-4H-1,2,4-oxadiazol-3-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]+	569.16668	229.4
[M+Na]+	591.14862	246.5
[M+NH4]+	586.19322	231.8
[M+K]+	607.12256	247.5
[M-H]-	567.15212	238.8
[M+Na-2H]-	589.13407	236.1
[M]+	568.15885	234.6
[M]-	568.15995	234.6

Adduct

m/z

Predicted CCS (Å²)

[M+H]+

569.16668

229.4

[M+Na]+

591.14862

246.5

[M+NH4]+

586.19322

231.8

[M+K]+

607.12256

247.5

[M-H]-

567.15212

238.8

[M+Na-2H]-

589.13407

236.1

[M]+

568.15885

234.6

[M]-

568.15995

234.6

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

Azilsartan medoxomil

Structural Information

2D Structure

Profile

Predicted Collision Cross Section

Literature stripe

Patent stripe