CID 23247770

Pukeleimide d

Structural Information

Molecular Formula
C13H16N2O6
SMILES
CN1/C(=C/C(=O)N2CC(=CC2=O)OC)/CC(C1=O)(CO)O
InChI
InChI=1S/C13H16N2O6/c1-14-8(5-13(20,7-16)12(14)19)3-10(17)15-6-9(21-2)4-11(15)18/h3-4,16,20H,5-7H2,1-2H3/b8-3+
InChIKey
FNRFWNOUJULTBT-FPYGCLRLSA-N
Compound name
(5E)-3-hydroxy-3-(hydroxymethyl)-5-[2-(3-methoxy-5-oxo-2H-pyrrol-1-yl)-2-oxoethylidene]-1-methylpyrrolidin-2-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

296.10083 Da
Monoisotopic Mass

-2.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 297.10811 162.3
[M+Na]+ 319.09005 170.7
[M-H]- 295.09355 164.6
[M+NH4]+ 314.13465 179.3
[M+K]+ 335.06399 168.2
[M+H-H2O]+ 279.09809 157.3
[M+HCOO]- 341.09903 179.5
[M+CH3COO]- 355.11468 195.5
[M+Na-2H]- 317.07550 160.0
[M]+ 296.10028 163.1
[M]- 296.10138 163.1
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.