CID 3088963

119725-40-5

Structural Information

Molecular Formula
C22H20O3
SMILES
C[C@](C1=CC=C(C=C1)C2=CC=CC=C2)([C@@H](C3=CC=CC=C3)C(=O)O)O
InChI
InChI=1S/C22H20O3/c1-22(25,20(21(23)24)18-10-6-3-7-11-18)19-14-12-17(13-15-19)16-8-4-2-5-9-16/h2-15,20,25H,1H3,(H,23,24)/t20-,22-/m0/s1
InChIKey
UMHQGTXAIQNRHZ-UNMCSNQZSA-N
Compound name
(2R,3R)-3-hydroxy-2-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

4.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 333.14852 178.9
[M+Na]+ 355.13046 183.0
[M-H]- 331.13396 185.4
[M+NH4]+ 350.17506 190.0
[M+K]+ 371.10440 177.9
[M+H-H2O]+ 315.13850 170.3
[M+HCOO]- 377.13944 195.9
[M+CH3COO]- 391.15509 205.7
[M+Na-2H]- 353.11591 182.0
[M]+ 332.14069 176.5
[M]- 332.14179 176.5
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

No patent data available for this compound.