CID 2541

Candesartan

Structural Information

Molecular Formula
C24H20N6O3
SMILES
CCOC1=NC2=CC=CC(=C2N1CC3=CC=C(C=C3)C4=CC=CC=C4C5=NNN=N5)C(=O)O
InChI
InChI=1S/C24H20N6O3/c1-2-33-24-25-20-9-5-8-19(23(31)32)21(20)30(24)14-15-10-12-16(13-11-15)17-6-3-4-7-18(17)22-26-28-29-27-22/h3-13H,2,14H2,1H3,(H,31,32)(H,26,27,28,29)
InChIKey
HTQMVQVXFRQIKW-UHFFFAOYSA-N
Compound name
2-ethoxy-3-[[4-[2-(2H-tetrazol-5-yl)phenyl]phenyl]methyl]benzimidazole-4-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
8
Annotation Hits

3069
References

40511
Patents

440.1597 Da
Monoisotopic Mass

4.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 441.166976 202.9
[M+Na]+ 463.148918 212.0
[M-H]- 439.152424 208.5
[M+NH4]+ 458.193523 206.5
[M+K]+ 479.122858 203.6
[M+H-H2O]+ 423.156960 190.5
[M+HCOO]- 485.157901 217.3
[M+CH3COO]- 499.173551 210.3
[M+Na-2H]- 461.134366 202.6
[M]+ 440.15915142 205.8
[M]- 440.16024858 205.8
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe