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

2448
Patents

285.1001 Da
Monoisotopic Mass

1.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 286.107376 164.6
[M+Na]+ 308.089318 167.7
[M-H]- 284.092824 168.0
[M+NH4]+ 303.133923 177.3
[M+K]+ 324.063258 165.0
[M+H-H2O]+ 268.097360 156.9
[M+HCOO]- 330.098301 183.5
[M+CH3COO]- 344.113951 197.7
[M+Na-2H]- 306.074766 166.3
[M]+ 285.09955142 161.7
[M]- 285.10064858 161.7
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