CID 854150

5,5-diphenyl-2-thiohydantoin

Structural Information

Molecular Formula

C₁₅H₁₂N₂OS

SMILES

C1=CC=C(C=C1)C2(C(=O)NC(=S)N2)C3=CC=CC=C3

InChI

InChI=1S/C15H12N2OS/c18-13-15(17-14(19)16-13,11-7-3-1-4-8-11)12-9-5-2-6-10-12/h1-10H,(H2,16,17,18,19)

InChIKey

AMDPNECWKZZEBQ-UHFFFAOYSA-N

Compound name

5,5-diphenyl-2-sulfanylideneimidazolidin-4-one

Related CIDs

2D Structure

compound 2d structure

3
Annotation Hits: 17
References: 220
Patents: 268.06705 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]+	269.07433	160.0
[M+Na]+	291.05627	173.3
[M+NH4]+	286.10087	169.6
[M+K]+	307.03021	163.7
[M-H]-	267.05977	164.1
[M+Na-2H]-	289.04172	169.6
[M]+	268.06650	163.6
[M]-	268.06760	163.6

Literature stripe

literature stripe

Patent stripe

patents stripe