CID 71756130

5,6-diethyl-3-oxo-2,3-dihydropyridazine-4-carbothioamide

Structural Information

Molecular Formula
C9H13N3OS
SMILES
CCC1=C(C(=O)NN=C1CC)C(=S)N
InChI
InChI=1S/C9H13N3OS/c1-3-5-6(4-2)11-12-9(13)7(5)8(10)14/h3-4H2,1-2H3,(H2,10,14)(H,12,13)
InChIKey
XGUZZAWFNLPRDG-UHFFFAOYSA-N
Compound name
3,4-diethyl-6-oxo-1H-pyridazine-5-carbothioamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

211.07793 Da
Monoisotopic Mass

1.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 212.08521 147.0
[M+Na]+ 234.06715 158.0
[M+NH4]+ 229.11175 153.5
[M+K]+ 250.04109 151.1
[M-H]- 210.07065 147.3
[M+Na-2H]- 232.05260 150.6
[M]+ 211.07738 148.8
[M]- 211.07848 148.8
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.