PubChemLite - Telmisartan (C33H30N4O2)

Structural Information

Molecular Formula

SMILES

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

InChI

InChI=1S/C33H30N4O2/c1-4-9-30-35-31-21(2)18-24(32-34-27-12-7-8-13-28(27)36(32)3)19-29(31)37(30)20-22-14-16-23(17-15-22)25-10-5-6-11-26(25)33(38)39/h5-8,10-19H,4,9,20H2,1-3H3,(H,38,39)

InChIKey

RMMXLENWKUUMAY-UHFFFAOYSA-N

Compound name

2-[4-[[4-methyl-6-(1-methylbenzimidazol-2-yl)-2-propylbenzimidazol-1-yl]methyl]phenyl]benzoic 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]+	515.24418	232.2
[M+Na]+	537.22612	251.5
[M+NH4]+	532.27072	238.6
[M+K]+	553.20006	244.6
[M-H]-	513.22962	239.8
[M+Na-2H]-	535.21157	241.3
[M]+	514.23635	237.5
[M]-	514.23745	237.5

Adduct

m/z

Predicted CCS (Å²)

[M+H]+

515.24418

232.2

[M+Na]+

537.22612

251.5

[M+NH4]+

532.27072

238.6

[M+K]+

553.20006

244.6

[M-H]-

513.22962

239.8

[M+Na-2H]-

535.21157

241.3

[M]+

514.23635

237.5

[M]-

514.23745

237.5

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

Telmisartan

Structural Information

2D Structure

Profile

Predicted Collision Cross Section

Literature stripe

Patent stripe