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]+ 212.085206 145.2
[M+Na]+ 234.067148 154.5
[M-H]- 210.070654 145.1
[M+NH4]+ 229.111753 161.2
[M+K]+ 250.041088 149.4
[M+H-H2O]+ 194.075190 138.5
[M+HCOO]- 256.076131 160.2
[M+CH3COO]- 270.091781 186.9
[M+Na-2H]- 232.052596 145.7
[M]+ 211.07738142 145.1
[M]- 211.07847858 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.