PubChemLite - Candesartan (C24H20N6O3)

Structural Information

Molecular Formula

SMILES

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

InChI

InChI=1S/C24H20N6O3/c1-2-33-24-25-20-9-5-8-19(23(31)32)21(20)30(24)14-15-10-12-16(13-11-15)17-6-3-4-7-18(17)22-26-28-29-27-22/h3-13H,2,14H2,1H3,(H,31,32)(H,26,27,28,29)

InChIKey

HTQMVQVXFRQIKW-UHFFFAOYSA-N

Compound name

2-ethoxy-3-[[4-[2-(2H-tetrazol-5-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]+	441.16698	202.9
[M+Na]+	463.14892	212.0
[M-H]-	439.15242	208.5
[M+NH4]+	458.19352	206.5
[M+K]+	479.12286	203.6
[M+H-H2O]+	423.15696	190.5
[M+HCOO]-	485.15790	217.3
[M+CH3COO]-	499.17355	210.3
[M+Na-2H]-	461.13437	202.6
[M]+	440.15915	205.8
[M]-	440.16025	205.8

Adduct

m/z

Predicted CCS (Å²)

[M+H]+

441.16698

202.9

[M+Na]+

463.14892

212.0

[M-H]-

439.15242

208.5

[M+NH4]+

458.19352

206.5

[M+K]+

479.12286

203.6

[M+H-H2O]+

423.15696

190.5

[M+HCOO]-

485.15790

217.3

[M+CH3COO]-

499.17355

210.3

[M+Na-2H]-

461.13437

202.6

[M]+

440.15915

205.8

[M]-

440.16025

205.8

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

Candesartan

Structural Information

2D Structure

Profile

Predicted Collision Cross Section

Literature stripe

Patent stripe