CID 135459171

2-((4-ethoxy-phenyl)-hydrazono)-3-oxo-butyric acid ethyl ester

Structural Information

Molecular Formula
C14H18N2O4
SMILES
CCOC1=CC=C(C=C1)N=NC(=C(C)O)C(=O)OCC
InChI
InChI=1S/C14H18N2O4/c1-4-19-12-8-6-11(7-9-12)15-16-13(10(3)17)14(18)20-5-2/h6-9,17H,4-5H2,1-3H3
InChIKey
JGTCKRVLHMVIFK-UHFFFAOYSA-N
Compound name
ethyl 2-[(4-ethoxyphenyl)diazenyl]-3-hydroxybut-2-enoate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

278.12665 Da
Monoisotopic Mass

3.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 279.13393 164.6
[M+Na]+ 301.11587 173.1
[M+NH4]+ 296.16047 169.8
[M+K]+ 317.08981 168.8
[M-H]- 277.11937 165.3
[M+Na-2H]- 299.10132 168.5
[M]+ 278.12610 165.5
[M]- 278.12720 165.5
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.