CID 5484332

Purine, 6-(propylsulfonyl)-

Structural Information

Molecular Formula
C8H10N4O2S
SMILES
CCCS(=O)(=O)C1=NC=NC2=C1NC=N2
InChI
InChI=1S/C8H10N4O2S/c1-2-3-15(13,14)8-6-7(10-4-9-6)11-5-12-8/h4-5H,2-3H2,1H3,(H,9,10,11,12)
InChIKey
KZBFHFNSOGTTKK-UHFFFAOYSA-N
Compound name
6-propylsulfonyl-7H-purine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

226.05244 Da
Monoisotopic Mass

0.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 227.059716 148.1
[M+Na]+ 249.041658 160.4
[M-H]- 225.045164 147.3
[M+NH4]+ 244.086263 164.1
[M+K]+ 265.015598 155.9
[M+H-H2O]+ 209.049700 141.3
[M+HCOO]- 271.050641 162.6
[M+CH3COO]- 285.066291 181.9
[M+Na-2H]- 247.027106 154.3
[M]+ 226.05189142 152.5
[M]- 226.05298858 152.5
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.