CID 24271767

944058-91-7

Structural Information

Molecular Formula
C6H8N2O4S
SMILES
CS(=O)(=O)CC1=CC(=O)NC(=O)N1
InChI
InChI=1S/C6H8N2O4S/c1-13(11,12)3-4-2-5(9)8-6(10)7-4/h2H,3H2,1H3,(H2,7,8,9,10)
InChIKey
QDUCJSGZWMZJAT-UHFFFAOYSA-N
Compound name
6-(methylsulfonylmethyl)-1H-pyrimidine-2,4-dione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

47
Patents

204.02048 Da
Monoisotopic Mass

-2.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 205.027756 138.6
[M+Na]+ 227.009698 149.3
[M-H]- 203.013204 137.9
[M+NH4]+ 222.054303 154.3
[M+K]+ 242.983638 144.8
[M+H-H2O]+ 187.017740 132.8
[M+HCOO]- 249.018681 153.2
[M+CH3COO]- 263.034331 174.2
[M+Na-2H]- 224.995146 143.3
[M]+ 204.01993142 139.8
[M]- 204.02102858 139.8
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