CID 5932355

Ethyl acetoacetate isonicotinoylhydrazone

Structural Information

Molecular Formula
C12H15N3O3
SMILES
CCOC(=O)C/C(=N\NC(=O)C1=CC=NC=C1)/C
InChI
InChI=1S/C12H15N3O3/c1-3-18-11(16)8-9(2)14-15-12(17)10-4-6-13-7-5-10/h4-7H,3,8H2,1-2H3,(H,15,17)/b14-9-
InChIKey
KQYAFKZHQIMQMF-ZROIWOOFSA-N
Compound name
ethyl (3Z)-3-(pyridine-4-carbonylhydrazinylidene)butanoate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

2
Patents

249.11134 Da
Monoisotopic Mass

0.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 250.11862 156.7
[M+Na]+ 272.10056 161.5
[M-H]- 248.10406 159.9
[M+NH4]+ 267.14516 172.1
[M+K]+ 288.07450 160.9
[M+H-H2O]+ 232.10860 148.3
[M+HCOO]- 294.10954 180.8
[M+CH3COO]- 308.12519 199.6
[M+Na-2H]- 270.08601 160.9
[M]+ 249.11079 158.6
[M]- 249.11189 158.6
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.