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

Adduct m/z Predicted CCS (Ų)
[M+H]+ 293.11321 163.6
[M+Na]+ 315.09515 172.7
[M-H]- 291.09865 168.6
[M+NH4]+ 310.13975 180.3
[M+K]+ 331.06909 170.6
[M+H-H2O]+ 275.10319 156.8
[M+HCOO]- 337.10413 184.7
[M+CH3COO]- 351.11978 200.9
[M+Na-2H]- 313.08060 160.6
[M]+ 292.10538 167.9
[M]- 292.10648 167.9
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.