CID 91800165

Irbesartan metabolite 6

Structural Information

Molecular Formula
C25H26N6O2
SMILES
CC(=O)CCC1=NC2(CCCC2)C(=O)N1CC3=CC=C(C=C3)C4=CC=CC=C4C5=NNN=N5
InChI
InChI=1S/C25H26N6O2/c1-17(32)8-13-22-26-25(14-4-5-15-25)24(33)31(22)16-18-9-11-19(12-10-18)20-6-2-3-7-21(20)23-27-29-30-28-23/h2-3,6-7,9-12H,4-5,8,13-16H2,1H3,(H,27,28,29,30)
InChIKey
MIGTZGLTQNODIS-UHFFFAOYSA-N
Compound name
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

442.21173 Da
Monoisotopic Mass

2.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 443.21901 204.4
[M+Na]+ 465.20095 210.7
[M-H]- 441.20445 211.7
[M+NH4]+ 460.24555 211.4
[M+K]+ 481.17489 203.7
[M+H-H2O]+ 425.20899 191.6
[M+HCOO]- 487.20993 217.3
[M+CH3COO]- 501.22558 211.2
[M+Na-2H]- 463.18640 198.3
[M]+ 442.21118 202.5
[M]- 442.21228 202.5
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.