CID 135438657

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

Structural Information

Molecular Formula
C13H16N2O4
SMILES
CCOC(=O)C(=C(C)O)N=NC1=CC=C(C=C1)OC
InChI
InChI=1S/C13H16N2O4/c1-4-19-13(17)12(9(2)16)15-14-10-5-7-11(18-3)8-6-10/h5-8,16H,4H2,1-3H3
InChIKey
MFDAYPUMYVAJLG-UHFFFAOYSA-N
Compound name
ethyl 3-hydroxy-2-[(4-methoxyphenyl)diazenyl]but-2-enoate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

2
Patents

264.111 Da
Monoisotopic Mass

3.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 265.118276 159.6
[M+Na]+ 287.100218 164.9
[M-H]- 263.103724 164.4
[M+NH4]+ 282.144823 176.0
[M+K]+ 303.074158 164.8
[M+H-H2O]+ 247.108260 152.0
[M+HCOO]- 309.109201 184.9
[M+CH3COO]- 323.124851 203.3
[M+Na-2H]- 285.085666 162.4
[M]+ 264.11045142 163.2
[M]- 264.11154858 163.2
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

patents stripe