CID 454336

5,5di-phsme hydantoin

Structural Information

Molecular Formula
C17H16N2O2S2
SMILES
C1=CC=C(C=C1)SCC2(C(=O)NC(=O)N2)CSC3=CC=CC=C3
InChI
InChI=1S/C17H16N2O2S2/c20-15-17(19-16(21)18-15,11-22-13-7-3-1-4-8-13)12-23-14-9-5-2-6-10-14/h1-10H,11-12H2,(H2,18,19,20,21)
InChIKey
DXPZKTAXAOUGLD-UHFFFAOYSA-N
Compound name
5,5-bis(phenylsulfanylmethyl)imidazolidine-2,4-dione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

2
References

4
Patents

344.0653 Da
Monoisotopic Mass

3.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 345.07258 175.7
[M+Na]+ 367.05452 183.7
[M-H]- 343.05802 179.7
[M+NH4]+ 362.09912 189.4
[M+K]+ 383.02846 175.4
[M+H-H2O]+ 327.06256 168.8
[M+HCOO]- 389.06350 183.9
[M+CH3COO]- 403.07915 184.8
[M+Na-2H]- 365.03997 175.3
[M]+ 344.06475 174.9
[M]- 344.06585 174.9
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.