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
3
Annotation Hits

0
References

2788
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 183.4
[M+Na]+ 369.14612 188.2
[M-H]- 345.14962 190.3
[M+NH4]+ 364.19072 194.4
[M+K]+ 385.12006 183.2
[M+H-H2O]+ 329.15416 174.6
[M+HCOO]- 391.15510 200.7
[M+CH3COO]- 405.17075 211.6
[M+Na-2H]- 367.13157 182.5
[M]+ 346.15635 182.1
[M]- 346.15745 182.1
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