CID 118753116

Peliglitazar metabolite m8

Structural Information

Molecular Formula
C29H28N2O8
SMILES
CC1=C(N=C(O1)C2=CC=CC=C2)C(COC3=CC=C(C=C3)[C@H](C)N(CC(=O)O)C(=O)OC4=CC=C(C=C4)O)O
InChI
InChI=1S/C29H28N2O8/c1-18(31(16-26(34)35)29(36)39-24-14-10-22(32)11-15-24)20-8-12-23(13-9-20)37-17-25(33)27-19(2)38-28(30-27)21-6-4-3-5-7-21/h3-15,18,25,32-33H,16-17H2,1-2H3,(H,34,35)/t18-,25?/m0/s1
InChIKey
RHLKAFSKMPXLEZ-CPFIQGLUSA-N
Compound name
2-[[(1S)-1-[4-[2-hydroxy-2-(5-methyl-2-phenyl-1,3-oxazol-4-yl)ethoxy]phenyl]ethyl]-(4-hydroxyphenoxy)carbonylamino]acetic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

532.1846 Da
Monoisotopic Mass

4.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 533.19188 225.6
[M+Na]+ 555.17382 235.6
[M+NH4]+ 550.21842 227.6
[M+K]+ 571.14776 234.8
[M-H]- 531.17732 230.6
[M+Na-2H]- 553.15927 231.0
[M]+ 532.18405 228.0
[M]- 532.18515 228.0
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

No patent data available for this compound.