CID 101944492

Irbesartan metabolite 2

Structural Information

Molecular Formula
C25H26N6O3
SMILES
CC(=O)CCC1=NC2(CCC(C2)O)C(=O)N1CC3=CC=C(C=C3)C4=CC=CC=C4C5=NNN=N5
InChI
InChI=1S/C25H26N6O3/c1-16(32)6-11-22-26-25(13-12-19(33)14-25)24(34)31(22)15-17-7-9-18(10-8-17)20-4-2-3-5-21(20)23-27-29-30-28-23/h2-5,7-10,19,33H,6,11-15H2,1H3,(H,27,28,29,30)
InChIKey
VYPCFUKCQSQGKN-UHFFFAOYSA-N
Compound name
8-hydroxy-2-(3-oxobutyl)-3-[[4-[2-(2H-tetrazol-5-yl)phenyl]phenyl]methyl]-1,3-diazaspiro[4.4]non-1-en-4-one
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

0
Patents

458.20663 Da
Monoisotopic Mass

1.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 459.21391 206.9
[M+Na]+ 481.19585 213.4
[M-H]- 457.19935 213.6
[M+NH4]+ 476.24045 212.8
[M+K]+ 497.16979 206.4
[M+H-H2O]+ 441.20389 195.1
[M+HCOO]- 503.20483 218.6
[M+CH3COO]- 517.22048 213.4
[M+Na-2H]- 479.18130 200.3
[M]+ 458.20608 205.2
[M]- 458.20718 205.2
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.