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

m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Å²) per adduct calculated using CCSbase.
Adduct	m/z	Predicted CCS (Å²)
[M+H]+	205.02776	141.4
[M+Na]+	227.00970	152.3
[M+NH4]+	222.05430	146.2
[M+K]+	242.98364	147.2
[M-H]-	203.01320	138.7
[M+Na-2H]-	224.99515	144.6
[M]+	204.01993	142.2
[M]-	204.02103	142.2

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe