CID 9588121

Brn 0926875

Structural Information

Molecular Formula
C14H19ClN4O2
SMILES
C/C(=N\NC1=NN=C(C=C1)Cl)/CC(=O)OC2CCCCC2
InChI
InChI=1S/C14H19ClN4O2/c1-10(16-18-13-8-7-12(15)17-19-13)9-14(20)21-11-5-3-2-4-6-11/h7-8,11H,2-6,9H2,1H3,(H,18,19)/b16-10+
InChIKey
AKHGKZWAWZSUTL-MHWRWJLKSA-N
Compound name
cyclohexyl (3E)-3-[(6-chloropyridazin-3-yl)hydrazinylidene]butanoate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

310.11966 Da
Monoisotopic Mass

3.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 311.12694 170.7
[M+Na]+ 333.10888 174.5
[M-H]- 309.11238 174.6
[M+NH4]+ 328.15348 182.9
[M+K]+ 349.08282 170.9
[M+H-H2O]+ 293.11692 161.1
[M+HCOO]- 355.11786 185.9
[M+CH3COO]- 369.13351 208.5
[M+Na-2H]- 331.09433 173.8
[M]+ 310.11911 169.6
[M]- 310.12021 169.6
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.