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

53
Patents

204.02048 Da
Monoisotopic Mass

-2.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 205.02776 138.6
[M+Na]+ 227.00970 149.3
[M-H]- 203.01320 137.9
[M+NH4]+ 222.05430 154.3
[M+K]+ 242.98364 144.8
[M+H-H2O]+ 187.01774 132.8
[M+HCOO]- 249.01868 153.2
[M+CH3COO]- 263.03433 174.2
[M+Na-2H]- 224.99515 143.3
[M]+ 204.01993 139.8
[M]- 204.02103 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