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 150.9
[M+Na]+ 264.05256 162.1
[M-H]- 240.05606 150.0
[M+NH4]+ 259.09716 165.8
[M+K]+ 280.02650 157.4
[M+H-H2O]+ 224.06060 143.7
[M+HCOO]- 286.06154 166.3
[M+CH3COO]- 300.07719 186.9
[M+Na-2H]- 262.03801 158.0
[M]+ 241.06279 154.4
[M]- 241.06389 154.4
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.