CID 49768281

(z)-4-(4-ethoxycarbonyl-3-hydroxy-anilino)-4-oxo-but-2-enoic acid

Structural Information

Molecular Formula
C13H13NO6
SMILES
CCOC(=O)C1=C(C=C(C=C1)NC(=O)/C=C\C(=O)O)O
InChI
InChI=1S/C13H13NO6/c1-2-20-13(19)9-4-3-8(7-10(9)15)14-11(16)5-6-12(17)18/h3-7,15H,2H2,1H3,(H,14,16)(H,17,18)/b6-5-
InChIKey
GKOOAPSASGOXPF-WAYWQWQTSA-N
Compound name
(Z)-4-(4-ethoxycarbonyl-3-hydroxyanilino)-4-oxobut-2-enoic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

279.07428 Da
Monoisotopic Mass

2.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 280.08156 159.7
[M+Na]+ 302.06350 165.5
[M-H]- 278.06700 160.7
[M+NH4]+ 297.10810 173.7
[M+K]+ 318.03744 163.6
[M+H-H2O]+ 262.07154 153.1
[M+HCOO]- 324.07248 180.0
[M+CH3COO]- 338.08813 195.9
[M+Na-2H]- 300.04895 160.3
[M]+ 279.07373 161.0
[M]- 279.07483 161.0
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.