CID 16785364

5-(4-methanesulfonylphenyl)-5-methylimidazolidine-2,4-dione

Structural Information

Molecular Formula
C11H12N2O4S
SMILES
CC1(C(=O)NC(=O)N1)C2=CC=C(C=C2)S(=O)(=O)C
InChI
InChI=1S/C11H12N2O4S/c1-11(9(14)12-10(15)13-11)7-3-5-8(6-4-7)18(2,16)17/h3-6H,1-2H3,(H2,12,13,14,15)
InChIKey
MRCYMBAGHCOXEX-UHFFFAOYSA-N
Compound name
5-methyl-5-(4-methylsulfonylphenyl)imidazolidine-2,4-dione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

268.0518 Da
Monoisotopic Mass

0.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 269.05908 157.6
[M+Na]+ 291.04102 167.3
[M-H]- 267.04452 159.8
[M+NH4]+ 286.08562 174.3
[M+K]+ 307.01496 162.6
[M+H-H2O]+ 251.04906 152.4
[M+HCOO]- 313.05000 170.2
[M+CH3COO]- 327.06565 186.4
[M+Na-2H]- 289.02647 159.5
[M]+ 268.05125 157.3
[M]- 268.05235 157.3
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

No patent data available for this compound.