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]+ 337.09496 177.3
[M+Na]+ 359.07690 184.2
[M-H]- 335.08040 184.7
[M+NH4]+ 354.12150 193.7
[M+K]+ 375.05084 180.5
[M+H-H2O]+ 319.08494 171.9
[M+HCOO]- 381.08588 195.1
[M+CH3COO]- 395.10153 210.5
[M+Na-2H]- 357.06235 178.2
[M]+ 336.08713 179.4
[M]- 336.08823 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.