CID 118753198

O-demethyl peliglitazar

Structural Information

Molecular Formula
C29H28N2O7
SMILES
CC1=C(N=C(O1)C2=CC=CC=C2)CCOC3=CC=C(C=C3)[C@H](C)N(CC(=O)O)C(=O)OC4=CC=C(C=C4)O
InChI
InChI=1S/C29H28N2O7/c1-19(31(18-27(33)34)29(35)38-25-14-10-23(32)11-15-25)21-8-12-24(13-9-21)36-17-16-26-20(2)37-28(30-26)22-6-4-3-5-7-22/h3-15,19,32H,16-18H2,1-2H3,(H,33,34)/t19-/m0/s1
InChIKey
GGZBHHZGRBLGOB-IBGZPJMESA-N
Compound name
2-[(4-hydroxyphenoxy)carbonyl-[(1S)-1-[4-[2-(5-methyl-2-phenyl-1,3-oxazol-4-yl)ethoxy]phenyl]ethyl]amino]acetic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

516.18964 Da
Monoisotopic Mass

5.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 517.19692 224.1
[M+Na]+ 539.17886 235.6
[M+NH4]+ 534.22346 227.3
[M+K]+ 555.15280 233.0
[M-H]- 515.18236 230.3
[M+Na-2H]- 537.16431 230.8
[M]+ 516.18909 227.2
[M]- 516.19019 227.2
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.