CID 6451147

Peliglitazar

Structural Information

Molecular Formula
C30H30N2O7
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)OC
InChI
InChI=1S/C30H30N2O7/c1-20(32(19-28(33)34)30(35)39-26-15-13-24(36-3)14-16-26)22-9-11-25(12-10-22)37-18-17-27-21(2)38-29(31-27)23-7-5-4-6-8-23/h4-16,20H,17-19H2,1-3H3,(H,33,34)/t20-/m0/s1
InChIKey
CUADMYMMZWFUCY-FQEVSTJZSA-N
Compound name
2-[(4-methoxyphenoxy)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
2
Annotation Hits

3
References

1138
Patents

530.2053 Da
Monoisotopic Mass

5.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 531.21258 228.2
[M+Na]+ 553.19452 230.4
[M-H]- 529.19802 240.1
[M+NH4]+ 548.23912 230.8
[M+K]+ 569.16846 229.9
[M+H-H2O]+ 513.20256 216.1
[M+HCOO]- 575.20350 246.4
[M+CH3COO]- 589.21915 249.0
[M+Na-2H]- 551.17997 224.4
[M]+ 530.20475 235.6
[M]- 530.20585 235.6
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.