CID 182104

32981-85-4

Structural Information

Molecular Formula
C17H17NO4
SMILES
COC(=O)[C@@H]([C@H](C1=CC=CC=C1)NC(=O)C2=CC=CC=C2)O
InChI
InChI=1S/C17H17NO4/c1-22-17(21)15(19)14(12-8-4-2-5-9-12)18-16(20)13-10-6-3-7-11-13/h2-11,14-15,19H,1H3,(H,18,20)/t14-,15+/m0/s1
InChIKey
UYJLJICUXJPKTB-LSDHHAIUSA-N
Compound name
methyl (2R,3S)-3-benzamido-2-hydroxy-3-phenylpropanoate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

65
Patents

299.11575 Da
Monoisotopic Mass

2.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 300.12303 169.5
[M+Na]+ 322.10497 179.7
[M+NH4]+ 317.14957 175.4
[M+K]+ 338.07891 175.2
[M-H]- 298.10847 171.8
[M+Na-2H]- 320.09042 176.0
[M]+ 299.11520 171.2
[M]- 299.11630 171.2
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