CID 2762289

132201-33-3

Structural Information

Molecular Formula
C16H15NO4
SMILES
C1=CC=C(C=C1)[C@@H]([C@H](C(=O)O)O)NC(=O)C2=CC=CC=C2
InChI
InChI=1S/C16H15NO4/c18-14(16(20)21)13(11-7-3-1-4-8-11)17-15(19)12-9-5-2-6-10-12/h1-10,13-14,18H,(H,17,19)(H,20,21)/t13-,14+/m0/s1
InChIKey
HYJVYOWKYPNSTK-UONOGXRCSA-N
Compound name
(2R,3S)-3-benzamido-2-hydroxy-3-phenylpropanoic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

7
References

2582
Patents

285.1001 Da
Monoisotopic Mass

1.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 286.10738 165.4
[M+Na]+ 308.08932 175.3
[M+NH4]+ 303.13392 171.1
[M+K]+ 324.06326 171.3
[M-H]- 284.09282 167.3
[M+Na-2H]- 306.07477 171.6
[M]+ 285.09955 166.9
[M]- 285.10065 166.9
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe