CID 3032419

5,5-diphenyl-2,4-dithiohydantoin

Structural Information

Molecular Formula

C₁₅H₁₂N₂S₂

SMILES

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

InChI

InChI=1S/C15H12N2S2/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

IPDQDGCZABYZKF-UHFFFAOYSA-N

Compound name

5,5-diphenylimidazolidine-2,4-dithione

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 10
Patents: 284.0442 Da
Monoisotopic Mass: 3.7
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]+	285.05148	159.7
[M+Na]+	307.03342	172.8
[M+NH4]+	302.07802	170.0
[M+K]+	323.00736	161.1
[M-H]-	283.03692	164.5
[M+Na-2H]-	305.01887	169.0
[M]+	284.04365	164.0
[M]-	284.04475	164.0

Literature stripe

literature stripe

Patent stripe

patents stripe