CID 13396589

(+-)-3-(p-cyclohexylphenyl)-3-(m-methoxyphenyl)hydracrylic acid

Structural Information

Molecular Formula
C22H26O4
SMILES
COC1=CC=CC(=C1)C(CC(=O)O)(C2=CC=C(C=C2)C3CCCCC3)O
InChI
InChI=1S/C22H26O4/c1-26-20-9-5-8-19(14-20)22(25,15-21(23)24)18-12-10-17(11-13-18)16-6-3-2-4-7-16/h5,8-14,16,25H,2-4,6-7,15H2,1H3,(H,23,24)
InChIKey
MVSQJVYUCVFVQR-UHFFFAOYSA-N
Compound name
3-(4-cyclohexylphenyl)-3-hydroxy-3-(3-methoxyphenyl)propanoic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

354.1831 Da
Monoisotopic Mass

4.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 355.19038 186.2
[M+Na]+ 377.17232 197.8
[M+NH4]+ 372.21692 192.9
[M+K]+ 393.14626 191.5
[M-H]- 353.17582 190.4
[M+Na-2H]- 375.15777 193.5
[M]+ 354.18255 189.0
[M]- 354.18365 189.0
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.