CID 3000380

5,5di-bzsme hydantoin

Structural Information

Molecular Formula

C₁₉H₂₀N₂S₄

SMILES

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

InChI

InChI=1S/C19H20N2S4/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

LSVVTJTZYRGALO-UHFFFAOYSA-N

Compound name

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

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 1
References: 3
Patents: 404.05093 Da
Monoisotopic Mass: 4.3
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]+	405.05821	183.2
[M+Na]+	427.04015	191.2
[M-H]-	403.04365	184.4
[M+NH4]+	422.08475	194.4
[M+K]+	443.01409	178.1
[M+H-H2O]+	387.04819	178.0
[M+HCOO]-	449.04913	179.7
[M+CH3COO]-	463.06478	189.4
[M+Na-2H]-	425.02560	182.0
[M]+	404.05038	178.5
[M]-	404.05148	178.5

Literature stripe

literature stripe

Patent stripe

patents stripe