CID 5484343

Purine-6-sulfonamide, n-propyl-

Structural Information

Molecular Formula
C8H11N5O2S
SMILES
CCCNS(=O)(=O)C1=NC=NC2=C1NC=N2
InChI
InChI=1S/C8H11N5O2S/c1-2-3-13-16(14,15)8-6-7(10-4-9-6)11-5-12-8/h4-5,13H,2-3H2,1H3,(H,9,10,11,12)
InChIKey
XUBZLRKMPOTJOL-UHFFFAOYSA-N
Compound name
N-propyl-7H-purine-6-sulfonamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

241.06334 Da
Monoisotopic Mass

0.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 242.07062 150.1
[M+Na]+ 264.05256 160.9
[M+NH4]+ 259.09716 155.6
[M+K]+ 280.02650 156.6
[M-H]- 240.05606 148.5
[M+Na-2H]- 262.03801 154.5
[M]+ 241.06279 151.3
[M]- 241.06389 151.3
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.