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[4,5-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]+ 197.049166 138.2
[M+Na]+ 219.031108 151.0
[M-H]- 195.034614 136.2
[M+NH4]+ 214.075713 155.1
[M+K]+ 235.005048 145.5
[M+H-H2O]+ 179.039150 131.7
[M+HCOO]- 241.040091 152.8
[M+CH3COO]- 255.055741 150.8
[M+Na-2H]- 217.016556 143.0
[M]+ 196.04134142 140.7
[M]- 196.04243858 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.