CID 135463986

1-ethyl 3-(((3-carboxypropyl)amino)methylene)-2,4-dioxo-1-pyrrolidineacetate

Structural Information

Molecular Formula
C13H18N2O6
SMILES
CCOC(=O)CN1CC(=C(C1=O)C=NCCCC(=O)O)O
InChI
InChI=1S/C13H18N2O6/c1-2-21-12(19)8-15-7-10(16)9(13(15)20)6-14-5-3-4-11(17)18/h6,16H,2-5,7-8H2,1H3,(H,17,18)
InChIKey
PRNITIVQGRAZKQ-UHFFFAOYSA-N
Compound name
4-[[1-(2-ethoxy-2-oxoethyl)-3-hydroxy-5-oxo-2H-pyrrol-4-yl]methylideneamino]butanoic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

298.1165 Da
Monoisotopic Mass

-0.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 299.12378 165.4
[M+Na]+ 321.10572 171.3
[M-H]- 297.10922 166.1
[M+NH4]+ 316.15032 180.0
[M+K]+ 337.07966 169.9
[M+H-H2O]+ 281.11376 158.5
[M+HCOO]- 343.11470 186.1
[M+CH3COO]- 357.13035 202.1
[M+Na-2H]- 319.09117 164.3
[M]+ 298.11595 169.3
[M]- 298.11705 169.3
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.