CID 82392895

1368143-95-6

Structural Information

Molecular Formula
C6H9N3O2S2
SMILES
CSC1=NC=C(C(=N1)N)S(=O)(=O)C
InChI
InChI=1S/C6H9N3O2S2/c1-12-6-8-3-4(5(7)9-6)13(2,10)11/h3H,1-2H3,(H2,7,8,9)
InChIKey
ZCCRSXNNABEAIM-UHFFFAOYSA-N
Compound name
2-methylsulfanyl-5-methylsulfonylpyrimidin-4-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

8
Patents

219.01363 Da
Monoisotopic Mass

0.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 220.02091 143.0
[M+Na]+ 242.00285 153.3
[M-H]- 218.00635 144.0
[M+NH4]+ 237.04745 159.2
[M+K]+ 257.97679 148.4
[M+H-H2O]+ 202.01089 136.5
[M+HCOO]- 264.01183 154.3
[M+CH3COO]- 278.02748 185.6
[M+Na-2H]- 239.98830 145.6
[M]+ 219.01308 145.2
[M]- 219.01418 145.2
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

patents stripe