CID 13396588

(+-)-beta-(p-cyclohexylphenyl)-beta-(m-tolyl)hydracrylic acid

Structural Information

Molecular Formula
C22H26O3
SMILES
CC1=CC(=CC=C1)C(CC(=O)O)(C2=CC=C(C=C2)C3CCCCC3)O
InChI
InChI=1S/C22H26O3/c1-16-6-5-9-20(14-16)22(25,15-21(23)24)19-12-10-18(11-13-19)17-7-3-2-4-8-17/h5-6,9-14,17,25H,2-4,7-8,15H2,1H3,(H,23,24)
InChIKey
PHOZVLLKQZEJEU-UHFFFAOYSA-N
Compound name
3-(4-cyclohexylphenyl)-3-hydroxy-3-(3-methylphenyl)propanoic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

338.1882 Da
Monoisotopic Mass

5.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 339.19548 183.5
[M+Na]+ 361.17742 195.6
[M+NH4]+ 356.22202 190.8
[M+K]+ 377.15136 188.7
[M-H]- 337.18092 188.2
[M+Na-2H]- 359.16287 191.2
[M]+ 338.18765 186.5
[M]- 338.18875 186.5
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.