CID 158781

Olmesartan

Structural Information

Molecular Formula
C24H26N6O3
SMILES
CCCC1=NC(=C(N1CC2=CC=C(C=C2)C3=CC=CC=C3C4=NNN=N4)C(=O)O)C(C)(C)O
InChI
InChI=1S/C24H26N6O3/c1-4-7-19-25-21(24(2,3)33)20(23(31)32)30(19)14-15-10-12-16(13-11-15)17-8-5-6-9-18(17)22-26-28-29-27-22/h5-6,8-13,33H,4,7,14H2,1-3H3,(H,31,32)(H,26,27,28,29)
InChIKey
VTRAEEWXHOVJFV-UHFFFAOYSA-N
Compound name
5-(2-hydroxypropan-2-yl)-2-propyl-3-[[4-[2-(2H-tetrazol-5-yl)phenyl]phenyl]methyl]imidazole-4-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
8
Annotation Hits

929
References

13225
Patents

446.20663 Da
Monoisotopic Mass

3.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 447.21391 207.7
[M+Na]+ 469.19585 215.4
[M-H]- 445.19935 211.4
[M+NH4]+ 464.24045 209.9
[M+K]+ 485.16979 207.6
[M+H-H2O]+ 429.20389 196.4
[M+HCOO]- 491.20483 219.5
[M+CH3COO]- 505.22048 214.2
[M+Na-2H]- 467.18130 205.7
[M]+ 446.20608 209.7
[M]- 446.20718 209.7
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.