CID 159735

Alpha-allyl-alpha-allophanyl-gamma-butyrolactone

Structural Information

Molecular Formula
C16H18N2O4
SMILES
CC1CC(C(=O)O1)(CC=C)C(=O)NC(=O)NC2=CC=CC=C2
InChI
InChI=1S/C16H18N2O4/c1-3-9-16(10-11(2)22-14(16)20)13(19)18-15(21)17-12-7-5-4-6-8-12/h3-8,11H,1,9-10H2,2H3,(H2,17,18,19,21)
InChIKey
UOGZEWXYSLFAPS-UHFFFAOYSA-N
Compound name
5-methyl-2-oxo-N-(phenylcarbamoyl)-3-prop-2-enyloxolane-3-carboxamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

302.12665 Da
Monoisotopic Mass

3.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 303.13393 169.9
[M+Na]+ 325.11587 175.0
[M-H]- 301.11937 177.0
[M+NH4]+ 320.16047 186.4
[M+K]+ 341.08981 173.3
[M+H-H2O]+ 285.12391 163.3
[M+HCOO]- 347.12485 192.2
[M+CH3COO]- 361.14050 205.6
[M+Na-2H]- 323.10132 172.0
[M]+ 302.12610 169.3
[M]- 302.12720 169.3
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

No patent data available for this compound.