CID 9938010

Carfloglitazar

Structural Information

Molecular Formula
C36H29FN2O4
SMILES
C1=CC=C2C(=C1)C3=CC=CC=C3N2CCOC4=CC=C(C=C4)CC(C(=O)O)NC5=CC=CC=C5C(=O)C6=CC=C(C=C6)F
InChI
InChI=1S/C36H29FN2O4/c37-26-17-15-25(16-18-26)35(40)30-9-1-4-10-31(30)38-32(36(41)42)23-24-13-19-27(20-14-24)43-22-21-39-33-11-5-2-7-28(33)29-8-3-6-12-34(29)39/h1-20,32,38H,21-23H2,(H,41,42)
InChIKey
QNLWMPLUWMWDMQ-UHFFFAOYSA-N
Compound name
3-[4-(2-carbazol-9-ylethoxy)phenyl]-2-[2-(4-fluorobenzoyl)anilino]propanoic acid
Related CIDs

2D Structure

compound 2d structure
3
Annotation Hits

20
References

1179
Patents

572.2111 Da
Monoisotopic Mass

8.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 573.21838 238.6
[M+Na]+ 595.20032 242.0
[M-H]- 571.20382 248.3
[M+NH4]+ 590.24492 241.5
[M+K]+ 611.17426 234.7
[M+H-H2O]+ 555.20836 224.6
[M+HCOO]- 617.20930 253.3
[M+CH3COO]- 631.22495 243.2
[M+Na-2H]- 593.18577 236.6
[M]+ 572.21055 239.8
[M]- 572.21165 239.8
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.