CID 231437

6334-90-3

Structural Information

Molecular Formula
C8H10N4S
SMILES
CCCSC1=NC=NC2=C1C=NN2
InChI
InChI=1S/C8H10N4S/c1-2-3-13-8-6-4-11-12-7(6)9-5-10-8/h4-5H,2-3H2,1H3,(H,9,10,11,12)
InChIKey
DMJNONNIEFCAML-UHFFFAOYSA-N
Compound name
4-propylsulfanyl-1H-pyrazolo[3,4-d]pyrimidine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

6
References

0
Patents

194.06262 Da
Monoisotopic Mass

1.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 195.06990 138.4
[M+Na]+ 217.05184 150.3
[M-H]- 193.05534 137.2
[M+NH4]+ 212.09644 155.9
[M+K]+ 233.02578 145.6
[M+H-H2O]+ 177.05988 131.1
[M+HCOO]- 239.06082 153.8
[M+CH3COO]- 253.07647 151.1
[M+Na-2H]- 215.03729 143.8
[M]+ 194.06207 142.0
[M]- 194.06317 142.0
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

No patent data available for this compound.