CID 2754441

Brn 3981613

Structural Information

Molecular Formula
C22H20O3
SMILES
C1=CC=C(C=C1)CC(CC(=O)O)(C2=CC=C(C=C2)C3=CC=CC=C3)O
InChI
InChI=1S/C22H20O3/c23-21(24)16-22(25,15-17-7-3-1-4-8-17)20-13-11-19(12-14-20)18-9-5-2-6-10-18/h1-14,25H,15-16H2,(H,23,24)
InChIKey
KPLYWJANPFZBMD-UHFFFAOYSA-N
Compound name
3-hydroxy-4-phenyl-3-(4-phenylphenyl)butanoic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

332.14124 Da
Monoisotopic Mass

4.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 333.14852 181.3
[M+Na]+ 355.13046 195.8
[M+NH4]+ 350.17506 188.8
[M+K]+ 371.10440 188.0
[M-H]- 331.13396 186.6
[M+Na-2H]- 353.11591 191.8
[M]+ 332.14069 185.0
[M]- 332.14179 185.0
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.