CID 3001198

9-[(dimethylamino)sulfonyl]hydropurine-6-thione

Structural Information

Molecular Formula
C7H9N5O2S2
SMILES
CN(C)S(=O)(=O)N1C=NC2=C1NC=NC2=S
InChI
InChI=1S/C7H9N5O2S2/c1-11(2)16(13,14)12-4-10-5-6(12)8-3-9-7(5)15/h3-4H,1-2H3,(H,8,9,15)
InChIKey
HSUISWHEOQVNIJ-UHFFFAOYSA-N
Compound name
N,N-dimethyl-6-sulfanylidene-3H-purine-9-sulfonamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

2
References

0
Patents

259.01978 Da
Monoisotopic Mass

-0.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 260.02706 153.3
[M+Na]+ 282.00900 166.3
[M-H]- 258.01250 154.1
[M+NH4]+ 277.05360 168.7
[M+K]+ 297.98294 161.2
[M+H-H2O]+ 242.01704 147.3
[M+HCOO]- 304.01798 164.2
[M+CH3COO]- 318.03363 192.2
[M+Na-2H]- 279.99445 157.4
[M]+ 259.01923 158.3
[M]- 259.02033 158.3
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.