CID 135408740

1-methyl-1h-pyrazolo[3,4-d]pyrimidine-4-thiol

Structural Information

Molecular Formula
C6H6N4S
SMILES
CN1C2=C(C=N1)C(=S)N=CN2
InChI
InChI=1S/C6H6N4S/c1-10-5-4(2-9-10)6(11)8-3-7-5/h2-3H,1H3,(H,7,8,11)
InChIKey
JFSLGAFJXFHPDH-UHFFFAOYSA-N
Compound name
1-methyl-7H-pyrazolo[3,4-d]pyrimidine-4-thione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

28
Patents

166.03131 Da
Monoisotopic Mass

0.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 167.03859 130.2
[M+Na]+ 189.02053 144.2
[M-H]- 165.02403 129.9
[M+NH4]+ 184.06513 149.2
[M+K]+ 204.99447 139.3
[M+H-H2O]+ 149.02857 123.8
[M+HCOO]- 211.02951 146.4
[M+CH3COO]- 225.04516 144.1
[M+Na-2H]- 187.00598 135.8
[M]+ 166.03076 132.9
[M]- 166.03186 132.9
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

patents stripe