CID 219002

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

Structural Information

Molecular Formula
C17H20N2O5
SMILES
CC1CC(C(=O)O1)(CC=C)C(=O)NC(=O)NC2=CC=C(C=C2)OC
InChI
InChI=1S/C17H20N2O5/c1-4-9-17(10-11(2)24-15(17)21)14(20)19-16(22)18-12-5-7-13(23-3)8-6-12/h4-8,11H,1,9-10H2,2-3H3,(H2,18,19,20,22)
InChIKey
KUYVXWARIKKAIR-UHFFFAOYSA-N
Compound name
N-[(4-methoxyphenyl)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

332.1372 Da
Monoisotopic Mass

3.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 333.14448 177.8
[M+Na]+ 355.12642 185.2
[M+NH4]+ 350.17102 183.4
[M+K]+ 371.10036 181.5
[M-H]- 331.12992 180.2
[M+Na-2H]- 353.11187 181.5
[M]+ 332.13665 179.0
[M]- 332.13775 179.0
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.