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 134.1
[M+Na]+ 201.02053 147.9
[M-H]- 177.02403 133.5
[M+NH4]+ 196.06513 152.4
[M+K]+ 216.99447 142.2
[M+H-H2O]+ 161.02857 127.4
[M+HCOO]- 223.02951 150.1
[M+CH3COO]- 237.04516 147.6
[M+Na-2H]- 199.00598 139.1
[M]+ 178.03076 136.4
[M]- 178.03186 136.4
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.