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

m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Å²) per adduct calculated using CCSbase.
Adduct	m/z	Predicted CCS (Å²)
[M+H]+	303.133926	169.9
[M+Na]+	325.115868	175.0
[M-H]-	301.119374	177.0
[M+NH4]+	320.160473	186.4
[M+K]+	341.089808	173.3
[M+H-H2O]+	285.123910	163.3
[M+HCOO]-	347.124851	192.2
[M+CH3COO]-	361.140501	205.6
[M+Na-2H]-	323.101316	172.0
[M]+	302.12610142	169.3
[M]-	302.12719858	169.3

Literature stripe

literature stripe

Patent stripe

No patent data available for this compound.