CID 135406821

Nsc692024

Structural Information

Molecular Formula
C7H8N4S2
SMILES
CC1=C2C(=NN1)NC(=S)N=C2SC
InChI
InChI=1S/C7H8N4S2/c1-3-4-5(11-10-3)8-7(12)9-6(4)13-2/h1-2H3,(H2,8,9,10,11,12)
InChIKey
WCWHUSGSYQLCIV-UHFFFAOYSA-N
Compound name
3-methyl-4-methylsulfanyl-2,7-dihydropyrazolo[3,4-d]pyrimidine-6-thione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

212.01904 Da
Monoisotopic Mass

1.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 213.02632 138.9
[M+Na]+ 235.00826 153.2
[M-H]- 211.01176 137.2
[M+NH4]+ 230.05286 156.0
[M+K]+ 250.98220 145.9
[M+H-H2O]+ 195.01630 133.8
[M+HCOO]- 257.01724 148.0
[M+CH3COO]- 271.03289 151.3
[M+Na-2H]- 232.99371 140.6
[M]+ 212.01849 141.5
[M]- 212.01959 141.5
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.