CID 103830

2-hydroxy-3,5-bis(1-phenylethyl)benzoic acid

Structural Information

Molecular Formula
C23H22O3
SMILES
CC(C1=CC=CC=C1)C2=CC(=C(C(=C2)C(=O)O)O)C(C)C3=CC=CC=C3
InChI
InChI=1S/C23H22O3/c1-15(17-9-5-3-6-10-17)19-13-20(22(24)21(14-19)23(25)26)16(2)18-11-7-4-8-12-18/h3-16,24H,1-2H3,(H,25,26)
InChIKey
UXDLAKCKZCACAX-UHFFFAOYSA-N
Compound name
2-hydroxy-3,5-bis(1-phenylethyl)benzoic acid
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

2521
Patents

346.1569 Da
Monoisotopic Mass

6.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 347.16418 184.8
[M+Na]+ 369.14612 199.4
[M+NH4]+ 364.19072 192.1
[M+K]+ 385.12006 192.2
[M-H]- 345.14962 190.3
[M+Na-2H]- 367.13157 193.9
[M]+ 346.15635 188.5
[M]- 346.15745 188.5
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

patents stripe