CID 96282

51461-76-8

Structural Information

Molecular Formula
C5H9N5O2S2
SMILES
CSC1=NC(=C(C(=N1)N)S(=O)(=O)N)N
InChI
InChI=1S/C5H9N5O2S2/c1-13-5-9-3(6)2(4(7)10-5)14(8,11)12/h1H3,(H2,8,11,12)(H4,6,7,9,10)
InChIKey
OBGYTTSCFOSDGK-UHFFFAOYSA-N
Compound name
4,6-diamino-2-methylsulfanylpyrimidine-5-sulfonamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

1
Patents

235.01976 Da
Monoisotopic Mass

0.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 236.02704 145.8
[M+Na]+ 258.00898 155.3
[M-H]- 234.01248 145.7
[M+NH4]+ 253.05358 160.0
[M+K]+ 273.98292 149.3
[M+H-H2O]+ 218.01702 138.7
[M+HCOO]- 280.01796 157.7
[M+CH3COO]- 294.03361 193.1
[M+Na-2H]- 255.99443 147.8
[M]+ 235.01921 144.3
[M]- 235.02031 144.3
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

patents stripe