CID 3077009

5h-pyrazolo(3,4-b)pyrazine-5-thione, 1,4-dihydro-1-(2-hydroxyethyl)-

Structural Information

Molecular Formula
C7H8N4OS
SMILES
C1=NN(C2=C1NC(=S)C=N2)CCO
InChI
InChI=1S/C7H8N4OS/c12-2-1-11-7-5(3-9-11)10-6(13)4-8-7/h3-4,12H,1-2H2,(H,10,13)
InChIKey
LMFBLQLUMCDVBH-UHFFFAOYSA-N
Compound name
1-(2-hydroxyethyl)-4H-pyrazolo[3,4-b]pyrazine-5-thione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

196.04189 Da
Monoisotopic Mass

-0.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 197.04917 138.2
[M+Na]+ 219.03111 151.0
[M-H]- 195.03461 136.2
[M+NH4]+ 214.07571 155.1
[M+K]+ 235.00505 145.5
[M+H-H2O]+ 179.03915 131.7
[M+HCOO]- 241.04009 152.8
[M+CH3COO]- 255.05574 150.8
[M+Na-2H]- 217.01656 143.0
[M]+ 196.04134 140.7
[M]- 196.04244 140.7
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.