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]+ 269.059076 157.6
[M+Na]+ 291.041018 167.3
[M-H]- 267.044524 159.8
[M+NH4]+ 286.085623 174.3
[M+K]+ 307.014958 162.6
[M+H-H2O]+ 251.049060 152.4
[M+HCOO]- 313.050001 170.2
[M+CH3COO]- 327.065651 186.4
[M+Na-2H]- 289.026466 159.5
[M]+ 268.05125142 157.3
[M]- 268.05234858 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.