CID 3069703

(1,1'-biphenyl)-4-acetic acid, alpha-(1-hydroxy-1-phenylethyl)-, (r*,s*)-(+)-

Structural Information

Molecular Formula
C22H20O3
SMILES
C[C@](C1=CC=CC=C1)([C@H](C2=CC=C(C=C2)C3=CC=CC=C3)C(=O)O)O
InChI
InChI=1S/C22H20O3/c1-22(25,19-10-6-3-7-11-19)20(21(23)24)18-14-12-17(13-15-18)16-8-4-2-5-9-16/h2-15,20,25H,1H3,(H,23,24)/t20-,22+/m1/s1
InChIKey
DPYOMKYUWLNESO-IRLDBZIGSA-N
Compound name
(2S,3R)-3-hydroxy-3-phenyl-2-(4-phenylphenyl)butanoic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

332.14124 Da
Monoisotopic Mass

4.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 333.14852 180.5
[M+Na]+ 355.13046 194.6
[M+NH4]+ 350.17506 187.9
[M+K]+ 371.10440 187.7
[M-H]- 331.13396 185.6
[M+Na-2H]- 353.11591 190.8
[M]+ 332.14069 184.1
[M]- 332.14179 184.1
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

No patent data available for this compound.