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[4,5-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]+ 179.038586 134.1
[M+Na]+ 201.020528 147.9
[M-H]- 177.024034 133.5
[M+NH4]+ 196.065133 152.4
[M+K]+ 216.994468 142.2
[M+H-H2O]+ 161.028570 127.4
[M+HCOO]- 223.029511 150.1
[M+CH3COO]- 237.045161 147.6
[M+Na-2H]- 199.005976 139.1
[M]+ 178.03076142 136.4
[M]- 178.03185858 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.