PubChemLite - Candesartan ethyl ester (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	213.0
[M+Na]+	491.18020	229.0
[M+NH4]+	486.22480	217.1
[M+K]+	507.15414	225.4
[M-H]-	467.18370	217.1
[M+Na-2H]-	489.16565	221.7
[M]+	468.19043	216.4
[M]-	468.19153	216.4

Adduct

m/z

Predicted CCS (Å²)

[M+H]+

469.19826

213.0

[M+Na]+

491.18020

229.0

[M+NH4]+

486.22480

217.1

[M+K]+

507.15414

225.4

[M-H]-

467.18370

217.1

[M+Na-2H]-

489.16565

221.7

[M]+

468.19043

216.4

[M]-

468.19153

216.4

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

Candesartan ethyl ester

Structural Information

2D Structure

Profile

Predicted Collision Cross Section

Literature stripe

Patent stripe