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]+ 279.09755 160.1
[M+Na]+ 301.07949 169.2
[M-H]- 277.08299 164.0
[M+NH4]+ 296.12409 176.7
[M+K]+ 317.05343 166.5
[M+H-H2O]+ 261.08753 153.7
[M+HCOO]- 323.08847 180.0
[M+CH3COO]- 337.10412 195.6
[M+Na-2H]- 299.06494 157.2
[M]+ 278.08972 162.2
[M]- 278.09082 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.