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 179.5
[M+Na]+ 355.13046 184.0
[M-H]- 331.13396 185.9
[M+NH4]+ 350.17506 190.7
[M+K]+ 371.10440 178.3
[M+H-H2O]+ 315.13850 170.7
[M+HCOO]- 377.13944 197.5
[M+CH3COO]- 391.15509 204.8
[M+Na-2H]- 353.11591 183.7
[M]+ 332.14069 177.6
[M]- 332.14179 177.6
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.