CID 3077008

5h-pyrazolo(3,4-b)pyrazine-5-thione, 1,4-dihydro-1-ethenyl-

Structural Information

Molecular Formula
C7H6N4S
SMILES
C=CN1C2=C(C=N1)NC(=S)C=N2
InChI
InChI=1S/C7H6N4S/c1-2-11-7-5(3-9-11)10-6(12)4-8-7/h2-4H,1H2,(H,10,12)
InChIKey
KEUHGODYIPSIRH-UHFFFAOYSA-N
Compound name
1-ethenyl-4H-pyrazolo[3,4-b]pyrazine-5-thione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

178.03131 Da
Monoisotopic Mass

0.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 179.03859 135.8
[M+Na]+ 201.02053 149.9
[M+NH4]+ 196.06513 143.4
[M+K]+ 216.99447 143.1
[M-H]- 177.02403 135.6
[M+Na-2H]- 199.00598 141.2
[M]+ 178.03076 138.1
[M]- 178.03186 138.1
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

No patent data available for this compound.