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 176.2
[M+Na]+ 355.12642 181.6
[M-H]- 331.12992 183.5
[M+NH4]+ 350.17102 191.6
[M+K]+ 371.10036 180.4
[M+H-H2O]+ 315.13446 169.6
[M+HCOO]- 377.13540 198.3
[M+CH3COO]- 391.15105 212.2
[M+Na-2H]- 353.11187 177.4
[M]+ 332.13665 177.9
[M]- 332.13775 177.9
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.