CID 308146

5,5-di-bzsme hydantoin

Structural Information

Molecular Formula

C₁₉H₂₀N₂O₂S₂

SMILES

C1=CC=C(C=C1)CSCC2(C(=O)NC(=O)N2)CSCC3=CC=CC=C3

InChI

InChI=1S/C19H20N2O2S2/c22-17-19(21-18(23)20-17,13-24-11-15-7-3-1-4-8-15)14-25-12-16-9-5-2-6-10-16/h1-10H,11-14H2,(H2,20,21,22,23)

InChIKey

JCDRJBAHSISSAL-UHFFFAOYSA-N

Compound name

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

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 1
References: 4
Patents: 372.09662 Da
Monoisotopic Mass: 3.1
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]+	373.10390	183.4
[M+Na]+	395.08584	190.3
[M-H]-	371.08934	186.9
[M+NH4]+	390.13044	195.8
[M+K]+	411.05978	181.7
[M+H-H2O]+	355.09388	176.1
[M+HCOO]-	417.09482	190.9
[M+CH3COO]-	431.11047	191.5
[M+Na-2H]-	393.07129	182.1
[M]+	372.09607	183.2
[M]-	372.09717	183.2

Literature stripe

literature stripe

Patent stripe

patents stripe