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

Adduct m/z Predicted CCS (Ų)
[M+H]+ 263.10265 157.2
[M+Na]+ 285.08459 166.4
[M-H]- 261.08809 162.1
[M+NH4]+ 280.12919 175.1
[M+K]+ 301.05853 163.4
[M+H-H2O]+ 245.09263 150.9
[M+HCOO]- 307.09357 177.3
[M+CH3COO]- 321.10922 195.3
[M+Na-2H]- 283.07004 153.7
[M]+ 262.09482 157.7
[M]- 262.09592 157.7
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.