CID 135429814

5142-28-9

Structural Information

Molecular Formula
C8H8N4S2
SMILES
C=CCSC1=NNC(=S)C2=C1NC=N2
InChI
InChI=1S/C8H8N4S2/c1-2-3-14-8-6-5(9-4-10-6)7(13)11-12-8/h2,4H,1,3H2,(H,9,10)(H,11,13)
InChIKey
VLNWOZJSFXDEMI-UHFFFAOYSA-N
Compound name
4-prop-2-enylsulfanyl-3,6-dihydroimidazo[4,5-d]pyridazine-7-thione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

1
Patents

224.01904 Da
Monoisotopic Mass

1.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 225.02632 142.3
[M+Na]+ 247.00826 155.7
[M-H]- 223.01176 140.1
[M+NH4]+ 242.05286 158.5
[M+K]+ 262.98220 147.6
[M+H-H2O]+ 207.01630 136.8
[M+HCOO]- 269.01724 151.3
[M+CH3COO]- 283.03289 154.0
[M+Na-2H]- 244.99371 144.2
[M]+ 224.01849 144.1
[M]- 224.01959 144.1
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

patents stripe