CID 65999

Telmisartan

Structural Information

Molecular Formula
C33H30N4O2
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

compound 2d structure
9
Annotation Hits

2610
References

39306
Patents

514.2369 Da
Monoisotopic Mass

6.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 515.24418 232.2
[M+Na]+ 537.22612 242.4
[M-H]- 513.22962 242.4
[M+NH4]+ 532.27072 237.6
[M+K]+ 553.20006 232.5
[M+H-H2O]+ 497.23416 219.5
[M+HCOO]- 559.23510 248.0
[M+CH3COO]- 573.25075 239.4
[M+Na-2H]- 535.21157 228.2
[M]+ 514.23635 238.3
[M]- 514.23745 238.3
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.