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
1
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 203.6
[M+Na]+ 465.20095 215.7
[M+NH4]+ 460.24555 209.2
[M+K]+ 481.17489 213.4
[M-H]- 441.20445 207.3
[M+Na-2H]- 463.18640 212.1
[M]+ 442.21118 206.2
[M]- 442.21228 206.2
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.