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

3287
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

literature stripe

Patent stripe

patents stripe