CID 219003

Alpha-allyl-alpha-(p-chlorophenyl)-allophanyl-gamma-methyl-gamma-butyrolactone

Structural Information

Molecular Formula
C16H17ClN2O4
SMILES
CC1CC(C(=O)O1)(CC=C)C(=O)NC(=O)NC2=CC=C(C=C2)Cl
InChI
InChI=1S/C16H17ClN2O4/c1-3-8-16(9-10(2)23-14(16)21)13(20)19-15(22)18-12-6-4-11(17)5-7-12/h3-7,10H,1,8-9H2,2H3,(H2,18,19,20,22)
InChIKey
ZPMIOWSJVVTTPO-UHFFFAOYSA-N
Compound name
N-[(4-chlorophenyl)carbamoyl]-5-methyl-2-oxo-3-prop-2-enyloxolane-3-carboxamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

336.08768 Da
Monoisotopic Mass

4.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 337.094956 177.3
[M+Na]+ 359.076898 184.2
[M-H]- 335.080404 184.7
[M+NH4]+ 354.121503 193.7
[M+K]+ 375.050838 180.5
[M+H-H2O]+ 319.084940 171.9
[M+HCOO]- 381.085881 195.1
[M+CH3COO]- 395.101531 210.5
[M+Na-2H]- 357.062346 178.2
[M]+ 336.08713142 179.4
[M]- 336.08822858 179.4
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.