CID 5484340

Purine-6-sulfonamide, n-isobutyl-

Structural Information

Molecular Formula
C9H13N5O2S
SMILES
CC(C)CNS(=O)(=O)C1=NC=NC2=C1NC=N2
InChI
InChI=1S/C9H13N5O2S/c1-6(2)3-14-17(15,16)9-7-8(11-4-10-7)12-5-13-9/h4-6,14H,3H2,1-2H3,(H,10,11,12,13)
InChIKey
PYRUAGWNBCXDQJ-UHFFFAOYSA-N
Compound name
N-(2-methylpropyl)-7H-purine-6-sulfonamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

255.079 Da
Monoisotopic Mass

0.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 256.08628 153.9
[M+Na]+ 278.06822 164.2
[M+NH4]+ 273.11282 159.2
[M+K]+ 294.04216 160.5
[M-H]- 254.07172 152.1
[M+Na-2H]- 276.05367 157.8
[M]+ 255.07845 154.9
[M]- 255.07955 154.9
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

No patent data available for this compound.