CID 6440466

72362-15-3

Structural Information

Molecular Formula
C13H14N2O5
SMILES
CN1/C(=C\C(=O)N2CC(=CC2=O)OC)/C=C(C1=O)CO
InChI
InChI=1S/C13H14N2O5/c1-14-9(3-8(7-16)13(14)19)4-11(17)15-6-10(20-2)5-12(15)18/h3-5,16H,6-7H2,1-2H3/b9-4-
InChIKey
ZNJVDXPVBMPLNR-WTKPLQERSA-N
Compound name
(5Z)-3-(hydroxymethyl)-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

278.09027 Da
Monoisotopic Mass

-1.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 279.097546 160.1
[M+Na]+ 301.079488 169.2
[M-H]- 277.082994 164.0
[M+NH4]+ 296.124093 176.7
[M+K]+ 317.053428 166.5
[M+H-H2O]+ 261.087530 153.7
[M+HCOO]- 323.088471 180.0
[M+CH3COO]- 337.104121 195.6
[M+Na-2H]- 299.064936 157.2
[M]+ 278.08972142 162.2
[M]- 278.09081858 162.2
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.