CID 333476

72039-20-4

Structural Information

Molecular Formula
C7H10N2OS2
SMILES
CCSC1=C(C=NN(C1=O)C)S
InChI
InChI=1S/C7H10N2OS2/c1-3-12-6-5(11)4-8-9(2)7(6)10/h4,11H,3H2,1-2H3
InChIKey
BAFJJQOVSYLDOO-UHFFFAOYSA-N
Compound name
4-ethylsulfanyl-2-methyl-5-sulfanylpyridazin-3-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

202.02345 Da
Monoisotopic Mass

0.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 203.03073 135.9
[M+Na]+ 225.01267 147.4
[M-H]- 201.01617 137.8
[M+NH4]+ 220.05727 154.0
[M+K]+ 240.98661 142.8
[M+H-H2O]+ 185.02071 129.8
[M+HCOO]- 247.02165 147.9
[M+CH3COO]- 261.03730 184.0
[M+Na-2H]- 222.99812 137.1
[M]+ 202.02290 140.7
[M]- 202.02400 140.7
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.