CID 47328

64286-80-2

Structural Information

Molecular Formula
C19H19NO4
SMILES
C=COC(=O)[C@@H](CC1=CC=CC=C1)NC(=O)OCC2=CC=CC=C2
InChI
InChI=1S/C19H19NO4/c1-2-23-18(21)17(13-15-9-5-3-6-10-15)20-19(22)24-14-16-11-7-4-8-12-16/h2-12,17H,1,13-14H2,(H,20,22)/t17-/m1/s1
InChIKey
XCGDYLANQZQVNE-QGZVFWFLSA-N
Compound name
ethenyl (2R)-3-phenyl-2-(phenylmethoxycarbonylamino)propanoate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

325.1314 Da
Monoisotopic Mass

3.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 326.13868 177.5
[M+Na]+ 348.12062 188.3
[M+NH4]+ 343.16522 183.3
[M+K]+ 364.09456 182.1
[M-H]- 324.12412 180.3
[M+Na-2H]- 346.10607 184.4
[M]+ 325.13085 179.5
[M]- 325.13195 179.5
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

No patent data available for this compound.