CID 238672

5-(benzylsulfanylmethyl)imidazolidine-2,4-dione

Structural Information

Molecular Formula
C11H12N2O2S
SMILES
C1=CC=C(C=C1)CSCC2C(=O)NC(=O)N2
InChI
InChI=1S/C11H12N2O2S/c14-10-9(12-11(15)13-10)7-16-6-8-4-2-1-3-5-8/h1-5,9H,6-7H2,(H2,12,13,14,15)
InChIKey
LKPYNTOXZAIDCX-UHFFFAOYSA-N
Compound name
5-(benzylsulfanylmethyl)imidazolidine-2,4-dione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

16
Patents

236.06195 Da
Monoisotopic Mass

1.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 237.06923 151.8
[M+Na]+ 259.05117 159.6
[M-H]- 235.05467 153.3
[M+NH4]+ 254.09577 167.9
[M+K]+ 275.02511 154.1
[M+H-H2O]+ 219.05921 144.9
[M+HCOO]- 281.06015 165.4
[M+CH3COO]- 295.07580 182.4
[M+Na-2H]- 257.03662 151.5
[M]+ 236.06140 149.8
[M]- 236.06250 149.8
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

No patent data available for this compound.