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 145.2
[M+Na]+ 234.06715 154.5
[M-H]- 210.07065 145.1
[M+NH4]+ 229.11175 161.2
[M+K]+ 250.04109 149.4
[M+H-H2O]+ 194.07519 138.5
[M+HCOO]- 256.07613 160.2
[M+CH3COO]- 270.09178 186.9
[M+Na-2H]- 232.05260 145.7
[M]+ 211.07738 145.1
[M]- 211.07848 145.1
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.