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: 3
Patents: 344.0653 Da
Monoisotopic Mass: 3.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Å²) per adduct calculated using CCSbase.
Adduct	m/z	Predicted CCS (Å²)
[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

Literature stripe

literature stripe

Patent stripe

patents stripe