CID 9888484

Naveglitazar

Structural Information

Molecular Formula
C25H26O6
SMILES
CO[C@@H](CC1=CC=C(C=C1)OCCCOC2=CC=C(C=C2)OC3=CC=CC=C3)C(=O)O
InChI
InChI=1S/C25H26O6/c1-28-24(25(26)27)18-19-8-10-20(11-9-19)29-16-5-17-30-21-12-14-23(15-13-21)31-22-6-3-2-4-7-22/h2-4,6-15,24H,5,16-18H2,1H3,(H,26,27)/t24-/m0/s1
InChIKey
OKJHGOPITGTTIM-DEOSSOPVSA-N
Compound name
(2S)-2-methoxy-3-[4-[3-(4-phenoxyphenoxy)propoxy]phenyl]propanoic acid
Related CIDs

2D Structure

compound 2d structure
3
Annotation Hits

10
References

3589
Patents

422.17294 Da
Monoisotopic Mass

5.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 423.18022 201.9
[M+Na]+ 445.16216 204.9
[M-H]- 421.16566 209.1
[M+NH4]+ 440.20676 209.8
[M+K]+ 461.13610 201.8
[M+H-H2O]+ 405.17020 190.9
[M+HCOO]- 467.17114 221.3
[M+CH3COO]- 481.18679 223.7
[M+Na-2H]- 443.14761 202.4
[M]+ 422.17239 207.2
[M]- 422.17349 207.2
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.