CID 3077007

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

Structural Information

Molecular Formula
C12H10N4S
SMILES
C1=CC=C(C=C1)CN2C3=C(C=N2)NC(=S)C=N3
InChI
InChI=1S/C12H10N4S/c17-11-7-13-12-10(15-11)6-14-16(12)8-9-4-2-1-3-5-9/h1-7H,8H2,(H,15,17)
InChIKey
AMFIWOGIKPAVTD-UHFFFAOYSA-N
Compound name
1-benzyl-4H-pyrazolo[3,4-b]pyrazine-5-thione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

242.06262 Da
Monoisotopic Mass

1.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 243.06990 150.8
[M+Na]+ 265.05184 167.0
[M+NH4]+ 260.09644 159.1
[M+K]+ 281.02578 158.7
[M-H]- 241.05534 153.6
[M+Na-2H]- 263.03729 159.5
[M]+ 242.06207 154.4
[M]- 242.06317 154.4
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.