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

m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Å²) per adduct calculated using CCSbase.
Adduct	m/z	Predicted CCS (Å²)
[M+H]+	326.138676	177.6
[M+Na]+	348.120618	180.9
[M-H]-	324.124124	183.2
[M+NH4]+	343.165223	190.2
[M+K]+	364.094558	178.0
[M+H-H2O]+	308.128660	168.6
[M+HCOO]-	370.129601	199.7
[M+CH3COO]-	384.145251	208.3
[M+Na-2H]-	346.106066	179.7
[M]+	325.13085142	179.1
[M]-	325.13194858	179.1

Literature stripe

literature stripe

Patent stripe

No patent data available for this compound.