CID 10047287

O-desethyl candesartan

Structural Information

Molecular Formula
C22H16N6O3
SMILES
C1=CC=C(C(=C1)C2=CC=C(C=C2)CN3C4=C(C=CC=C4NC3=O)C(=O)O)C5=NNN=N5
InChI
InChI=1S/C22H16N6O3/c29-21(30)17-6-3-7-18-19(17)28(22(31)23-18)12-13-8-10-14(11-9-13)15-4-1-2-5-16(15)20-24-26-27-25-20/h1-11H,12H2,(H,23,31)(H,29,30)(H,24,25,26,27)
InChIKey
KLCPKPIDOPBIQW-UHFFFAOYSA-N
Compound name
2-oxo-3-[[4-[2-(2H-tetrazol-5-yl)phenyl]phenyl]methyl]-1H-benzimidazole-4-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

17
Patents

412.1284 Da
Monoisotopic Mass

2.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 413.13568 194.7
[M+Na]+ 435.11762 204.6
[M-H]- 411.12112 199.5
[M+NH4]+ 430.16222 198.8
[M+K]+ 451.09156 195.4
[M+H-H2O]+ 395.12566 183.2
[M+HCOO]- 457.12660 208.5
[M+CH3COO]- 471.14225 202.4
[M+Na-2H]- 433.10307 195.0
[M]+ 412.12785 194.8
[M]- 412.12895 194.8
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.