CID 23247772

Pukeleimide f

Structural Information

Molecular Formula

C₁₄H₁₆N₂O₅

SMILES

CN1/C(=C\C(=O)N2CC(=CC2=O)OC)/C=C(C1=O)COC

InChI

InChI=1S/C14H16N2O5/c1-15-10(4-9(8-20-2)14(15)19)5-12(17)16-7-11(21-3)6-13(16)18/h4-6H,7-8H2,1-3H3/b10-5-

InChIKey

WIKPEERQBVZRIY-YHYXMXQVSA-N

Compound name

(5Z)-3-(methoxymethyl)-5-[2-(3-methoxy-5-oxo-2H-pyrrol-1-yl)-2-oxoethylidene]-1-methylpyrrol-2-one

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 0
Patents: 292.10593 Da
Monoisotopic Mass: -1.2
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]+	293.113206	163.6
[M+Na]+	315.095148	172.7
[M-H]-	291.098654	168.6
[M+NH4]+	310.139753	180.3
[M+K]+	331.069088	170.6
[M+H-H2O]+	275.103190	156.8
[M+HCOO]-	337.104131	184.7
[M+CH3COO]-	351.119781	200.9
[M+Na-2H]-	313.080596	160.6
[M]+	292.10538142	167.9
[M]-	292.10647858	167.9

Literature stripe

literature stripe

Patent stripe

No patent data available for this compound.