CID 126752383

Bocidelpar

Structural Information

Molecular Formula
C25H27F3N2O3
SMILES
CC1=CN=C(N1CC2=CC=CC=C2OCCC[C@@H](C)CC(=O)O)C3=CC=C(C=C3)C(F)(F)F
InChI
InChI=1S/C25H27F3N2O3/c1-17(14-23(31)32)6-5-13-33-22-8-4-3-7-20(22)16-30-18(2)15-29-24(30)19-9-11-21(12-10-19)25(26,27)28/h3-4,7-12,15,17H,5-6,13-14,16H2,1-2H3,(H,31,32)/t17-/m1/s1
InChIKey
FMOPHFSPINWSOV-QGZVFWFLSA-N
Compound name
(3R)-3-methyl-6-[2-[[5-methyl-2-[4-(trifluoromethyl)phenyl]imidazol-1-yl]methyl]phenoxy]hexanoic acid
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

108
Patents

460.1974 Da
Monoisotopic Mass

5.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 461.20468 213.0
[M+Na]+ 483.18662 221.5
[M+NH4]+ 478.23122 215.2
[M+K]+ 499.16056 217.4
[M-H]- 459.19012 210.9
[M+Na-2H]- 481.17207 216.2
[M]+ 460.19685 213.3
[M]- 460.19795 213.3
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

patents stripe