CID 11821031

Ethyl butyryl acetate isonicotinoylhydrazone

Structural Information

Molecular Formula
C14H19N3O3
SMILES
CCC/C(=N\NC(=O)C1=CC=NC=C1)/CC(=O)OCC
InChI
InChI=1S/C14H19N3O3/c1-3-5-12(10-13(18)20-4-2)16-17-14(19)11-6-8-15-9-7-11/h6-9H,3-5,10H2,1-2H3,(H,17,19)/b16-12+
InChIKey
PICANDUIQSNZJI-FOWTUZBSSA-N
Compound name
ethyl (3E)-3-(pyridine-4-carbonylhydrazinylidene)hexanoate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

277.14264 Da
Monoisotopic Mass

1.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 278.14992 165.8
[M+Na]+ 300.13186 169.8
[M-H]- 276.13536 168.6
[M+NH4]+ 295.17646 180.1
[M+K]+ 316.10580 168.7
[M+H-H2O]+ 260.13990 157.0
[M+HCOO]- 322.14084 189.3
[M+CH3COO]- 336.15649 205.6
[M+Na-2H]- 298.11731 169.0
[M]+ 277.14209 168.4
[M]- 277.14319 168.4
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

No patent data available for this compound.