CID 5355151

Nsc26708

Structural Information

Molecular Formula
C7H8N4S2
SMILES
CSC1=NN=C(C2=C1NC=N2)SC
InChI
InChI=1S/C7H8N4S2/c1-12-6-4-5(9-3-8-4)7(13-2)11-10-6/h3H,1-2H3,(H,8,9)
InChIKey
REDCMUCEUUOCMN-UHFFFAOYSA-N
Compound name
4,7-bis(methylsulfanyl)-1H-imidazo[4,5-d]pyridazine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

212.01904 Da
Monoisotopic Mass

1.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 213.02632 138.0
[M+Na]+ 235.00826 151.8
[M-H]- 211.01176 137.4
[M+NH4]+ 230.05286 155.6
[M+K]+ 250.98220 146.1
[M+H-H2O]+ 195.01630 132.3
[M+HCOO]- 257.01724 148.5
[M+CH3COO]- 271.03289 150.8
[M+Na-2H]- 232.99371 140.9
[M]+ 212.01849 142.6
[M]- 212.01959 142.6
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.