CID 118753092

9-hydroxy peliglitazar

Structural Information

Molecular Formula
C30H30N2O8
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)OC)O
InChI
InChI=1S/C30H30N2O8/c1-19(32(17-27(34)35)30(36)40-25-15-13-23(37-3)14-16-25)21-9-11-24(12-10-21)38-18-26(33)28-20(2)39-29(31-28)22-7-5-4-6-8-22/h4-16,19,26,33H,17-18H2,1-3H3,(H,34,35)/t19-,26?/m0/s1
InChIKey
VGAHUVFSRICZPZ-SXMXNQBWSA-N
Compound name
2-[[(1S)-1-[4-[2-hydroxy-2-(5-methyl-2-phenyl-1,3-oxazol-4-yl)ethoxy]phenyl]ethyl]-(4-methoxyphenoxy)carbonylamino]acetic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

546.2002 Da
Monoisotopic Mass

4.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 547.20748 229.2
[M+Na]+ 569.18942 239.5
[M+NH4]+ 564.23402 231.4
[M+K]+ 585.16336 238.2
[M-H]- 545.19292 234.6
[M+Na-2H]- 567.17487 235.0
[M]+ 546.19965 231.8
[M]- 546.20075 231.8
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.