CID 9802264

Losartan carboxaldehyde

Structural Information

Molecular Formula
C22H21ClN6O
SMILES
CCCCC1=NC(=C(N1CC2=CC=C(C=C2)C3=CC=CC=C3C4=NNN=N4)C=O)Cl
InChI
InChI=1S/C22H21ClN6O/c1-2-3-8-20-24-21(23)19(14-30)29(20)13-15-9-11-16(12-10-15)17-6-4-5-7-18(17)22-25-27-28-26-22/h4-7,9-12,14H,2-3,8,13H2,1H3,(H,25,26,27,28)
InChIKey
FQZSMTSTFMNWQF-UHFFFAOYSA-N
Compound name
2-butyl-5-chloro-3-[[4-[2-(2H-tetrazol-5-yl)phenyl]phenyl]methyl]imidazole-4-carbaldehyde
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

16
References

74
Patents

420.14655 Da
Monoisotopic Mass

4.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 421.15383 200.1
[M+Na]+ 443.13577 210.9
[M-H]- 419.13927 205.0
[M+NH4]+ 438.18037 205.6
[M+K]+ 459.10971 200.9
[M+H-H2O]+ 403.14381 186.6
[M+HCOO]- 465.14475 212.7
[M+CH3COO]- 479.16040 208.2
[M+Na-2H]- 441.12122 198.3
[M]+ 420.14600 205.0
[M]- 420.14710 205.0
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