PubChemLite - Telmisartan methyl ester (C34H32N4O2)

Structural Information

Molecular Formula

SMILES

CCCC1=NC2=C(N1CC3=CC=C(C=C3)C4=CC=CC=C4C(=O)OC)C=C(C=C2C)C5=NC6=CC=CC=C6N5C

InChI

InChI=1S/C34H32N4O2/c1-5-10-31-36-32-22(2)19-25(33-35-28-13-8-9-14-29(28)37(33)3)20-30(32)38(31)21-23-15-17-24(18-16-23)26-11-6-7-12-27(26)34(39)40-4/h6-9,11-20H,5,10,21H2,1-4H3

InChIKey

HJCCZIABCSDUPE-UHFFFAOYSA-N

Compound name

methyl 2-[4-[[4-methyl-6-(1-methylbenzimidazol-2-yl)-2-propylbenzimidazol-1-yl]methyl]phenyl]benzoate

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]+	529.25978	236.1
[M+Na]+	551.24172	255.8
[M+NH4]+	546.28632	242.7
[M+K]+	567.21566	248.3
[M-H]-	527.24522	244.1
[M+Na-2H]-	549.22717	245.5
[M]+	528.25195	241.6
[M]-	528.25305	241.6

Adduct

m/z

Predicted CCS (Å²)

[M+H]+

529.25978

236.1

[M+Na]+

551.24172

255.8

[M+NH4]+

546.28632

242.7

[M+K]+

567.21566

248.3

[M-H]-

527.24522

244.1

[M+Na-2H]-

549.22717

245.5

[M]+

528.25195

241.6

[M]-

528.25305

241.6

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

Telmisartan methyl ester

Structural Information

2D Structure

Profile

Predicted Collision Cross Section

Literature stripe

Patent stripe