CID 3003750

5453-50-9

Structural Information

Molecular Formula
C5H4N4S2
SMILES
C1=NC2=C(N1)C(=S)NNC2=S
InChI
InChI=1S/C5H4N4S2/c10-4-2-3(7-1-6-2)5(11)9-8-4/h1H,(H,6,7)(H,8,10)(H,9,11)
InChIKey
UMLMHCCZHVRYNV-UHFFFAOYSA-N
Compound name
5,6-dihydro-1H-imidazo[4,5-d]pyridazine-4,7-dithione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

183.98773 Da
Monoisotopic Mass

0.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 184.99501 130.7
[M+Na]+ 206.97695 145.0
[M-H]- 182.98045 127.6
[M+NH4]+ 202.02155 147.8
[M+K]+ 222.95089 136.6
[M+H-H2O]+ 166.98499 126.1
[M+HCOO]- 228.98593 139.1
[M+CH3COO]- 243.00158 142.9
[M+Na-2H]- 204.96240 133.6
[M]+ 183.98718 129.8
[M]- 183.98828 129.8
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.