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 177.6
[M+Na]+ 348.12062 180.9
[M-H]- 324.12412 183.2
[M+NH4]+ 343.16522 190.2
[M+K]+ 364.09456 178.0
[M+H-H2O]+ 308.12866 168.6
[M+HCOO]- 370.12960 199.7
[M+CH3COO]- 384.14525 208.3
[M+Na-2H]- 346.10607 179.7
[M]+ 325.13085 179.1
[M]- 325.13195 179.1
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.