CID 23247769

Pukeleimide c

Structural Information

Molecular Formula
C14H18N2O6
SMILES
CN1/C(=C/C(=O)N2CC(=CC2=O)OC)/CC(C1=O)(COC)O
InChI
InChI=1S/C14H18N2O6/c1-15-9(6-14(20,8-21-2)13(15)19)4-11(17)16-7-10(22-3)5-12(16)18/h4-5,20H,6-8H2,1-3H3/b9-4+
InChIKey
GVPMLCNQCGYKQV-RUDMXATFSA-N
Compound name
(5E)-3-hydroxy-3-(methoxymethyl)-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

310.1165 Da
Monoisotopic Mass

-2.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 311.12378 165.4
[M+Na]+ 333.10572 173.8
[M-H]- 309.10922 169.0
[M+NH4]+ 328.15032 182.6
[M+K]+ 349.07966 172.0
[M+H-H2O]+ 293.11376 160.0
[M+HCOO]- 355.11470 183.8
[M+CH3COO]- 369.13035 200.7
[M+Na-2H]- 331.09117 163.1
[M]+ 310.11595 168.4
[M]- 310.11705 168.4
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.