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

23
Patents

236.06195 Da
Monoisotopic Mass

1.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 237.069226 151.8
[M+Na]+ 259.051168 159.6
[M-H]- 235.054674 153.3
[M+NH4]+ 254.095773 167.9
[M+K]+ 275.025108 154.1
[M+H-H2O]+ 219.059210 144.9
[M+HCOO]- 281.060151 165.4
[M+CH3COO]- 295.075801 182.4
[M+Na-2H]- 257.036616 151.5
[M]+ 236.06140142 149.8
[M]- 236.06249858 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

literature stripe

Patent stripe

patents stripe