CID 9883276

153433-80-8

Structural Information

Molecular Formula
C18H19NO4
SMILES
CCOC(=O)[C@@H]([C@H](C1=CC=CC=C1)NC(=O)C2=CC=CC=C2)O
InChI
InChI=1S/C18H19NO4/c1-2-23-18(22)16(20)15(13-9-5-3-6-10-13)19-17(21)14-11-7-4-8-12-14/h3-12,15-16,20H,2H2,1H3,(H,19,21)/t15-,16+/m0/s1
InChIKey
OQAQLARGRIIKCB-JKSUJKDBSA-N
Compound name
ethyl (2R,3S)-3-benzamido-2-hydroxy-3-phenylpropanoate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

47
Patents

313.1314 Da
Monoisotopic Mass

2.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 314.13868 173.9
[M+Na]+ 336.12062 183.9
[M+NH4]+ 331.16522 179.6
[M+K]+ 352.09456 179.2
[M-H]- 312.12412 176.2
[M+Na-2H]- 334.10607 180.2
[M]+ 313.13085 175.6
[M]- 313.13195 175.6
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