CID 23247771

Pukeleimide e

Structural Information

Molecular Formula

C₁₃H₁₄N₂O₄

SMILES

CN1/C(=C/C(=O)N2CC(=CC2=O)OC)/CC(=C)C1=O

InChI

InChI=1S/C13H14N2O4/c1-8-4-9(14(2)13(8)18)5-11(16)15-7-10(19-3)6-12(15)17/h5-6H,1,4,7H2,2-3H3/b9-5+

InChIKey

PKYAOXMLUVFBOB-WEVVVXLNSA-N

Compound name

(5E)-5-[2-(3-methoxy-5-oxo-2H-pyrrol-1-yl)-2-oxoethylidene]-1-methyl-3-methylidenepyrrolidin-2-one

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 0
Patents: 262.09537 Da
Monoisotopic Mass: -0.5
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]+	263.102646	157.2
[M+Na]+	285.084588	166.4
[M-H]-	261.088094	162.1
[M+NH4]+	280.129193	175.1
[M+K]+	301.058528	163.4
[M+H-H2O]+	245.092630	150.9
[M+HCOO]-	307.093571	177.3
[M+CH3COO]-	321.109221	195.3
[M+Na-2H]-	283.070036	153.7
[M]+	262.09482142	157.7
[M]-	262.09591858	157.7

Literature stripe

literature stripe

Patent stripe

No patent data available for this compound.