PubChemLite - Olmesartan (C24H26N6O3)

Structural Information

Molecular Formula

SMILES

CCCC1=NC(=C(N1CC2=CC=C(C=C2)C3=CC=CC=C3C4=NNN=N4)C(=O)O)C(C)(C)O

InChI

InChI=1S/C24H26N6O3/c1-4-7-19-25-21(24(2,3)33)20(23(31)32)30(19)14-15-10-12-16(13-11-15)17-8-5-6-9-18(17)22-26-28-29-27-22/h5-6,8-13,33H,4,7,14H2,1-3H3,(H,31,32)(H,26,27,28,29)

InChIKey

VTRAEEWXHOVJFV-UHFFFAOYSA-N

Compound name

5-(2-hydroxypropan-2-yl)-2-propyl-3-[[4-[2-(2H-tetrazol-5-yl)phenyl]phenyl]methyl]imidazole-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]+	447.21391	207.1
[M+Na]+	469.19585	220.2
[M+NH4]+	464.24045	209.5
[M+K]+	485.16979	219.7
[M-H]-	445.19935	208.7
[M+Na-2H]-	467.18130	214.3
[M]+	446.20608	209.2
[M]-	446.20718	209.2

Adduct

m/z

Predicted CCS (Å²)

[M+H]+

447.21391

207.1

[M+Na]+

469.19585

220.2

[M+NH4]+

464.24045

209.5

[M+K]+

485.16979

219.7

[M-H]-

445.19935

208.7

[M+Na-2H]-

467.18130

214.3

[M]+

446.20608

209.2

[M]-

446.20718

209.2

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

Olmesartan

Structural Information

2D Structure

Profile

Predicted Collision Cross Section

Literature stripe

Patent stripe