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 139.7
[M+Na]+ 219.03111 152.8
[M+NH4]+ 214.07571 146.7
[M+K]+ 235.00505 146.9
[M-H]- 195.03461 138.8
[M+Na-2H]- 217.01656 144.2
[M]+ 196.04134 141.6
[M]- 196.04244 141.6
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

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No literature data available for this compound.

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No patent data available for this compound.