CID 9588120

Brn 0928345

Structural Information

Molecular Formula
C16H25ClN4O2
SMILES
CCCCCCCCOC(=O)C/C(=N/NC1=NN=C(C=C1)Cl)/C
InChI
InChI=1S/C16H25ClN4O2/c1-3-4-5-6-7-8-11-23-16(22)12-13(2)18-20-15-10-9-14(17)19-21-15/h9-10H,3-8,11-12H2,1-2H3,(H,20,21)/b18-13+
InChIKey
HPGBRSGGQCAFBZ-QGOAFFKASA-N
Compound name
octyl (3E)-3-[(6-chloropyridazin-3-yl)hydrazinylidene]butanoate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

340.1666 Da
Monoisotopic Mass

4.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 341.17388 182.3
[M+Na]+ 363.15582 187.0
[M-H]- 339.15932 183.3
[M+NH4]+ 358.20042 194.0
[M+K]+ 379.12976 182.9
[M+H-H2O]+ 323.16386 173.0
[M+HCOO]- 385.16480 199.8
[M+CH3COO]- 399.18045 217.5
[M+Na-2H]- 361.14127 184.6
[M]+ 340.16605 188.5
[M]- 340.16715 188.5
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.