CID 16609

Brn 0297051

Structural Information

Molecular Formula
C17H16N2O2S
SMILES
C1=CC=C(C=C1)CSCC2(C(=O)NC(=O)N2)C3=CC=CC=C3
InChI
InChI=1S/C17H16N2O2S/c20-15-17(19-16(21)18-15,14-9-5-2-6-10-14)12-22-11-13-7-3-1-4-8-13/h1-10H,11-12H2,(H2,18,19,20,21)
InChIKey
CRQFXOWMFLWHCR-UHFFFAOYSA-N
Compound name
5-(benzylsulfanylmethyl)-5-phenylimidazolidine-2,4-dione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

312.09326 Da
Monoisotopic Mass

3.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 313.10054 171.7
[M+Na]+ 335.08248 179.3
[M-H]- 311.08598 176.2
[M+NH4]+ 330.12708 186.3
[M+K]+ 351.05642 172.1
[M+H-H2O]+ 295.09052 163.8
[M+HCOO]- 357.09146 185.0
[M+CH3COO]- 371.10711 181.5
[M+Na-2H]- 333.06793 172.3
[M]+ 312.09271 169.7
[M]- 312.09381 169.7
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.