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

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]+	333.144476	176.2
[M+Na]+	355.126418	181.6
[M-H]-	331.129924	183.5
[M+NH4]+	350.171023	191.6
[M+K]+	371.100358	180.4
[M+H-H2O]+	315.134460	169.6
[M+HCOO]-	377.135401	198.3
[M+CH3COO]-	391.151051	212.2
[M+Na-2H]-	353.111866	177.4
[M]+	332.13665142	177.9
[M]-	332.13774858	177.9

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.