CID 3001906

5-[(z)-(phenylmethyl)methylidene]-2-thiohydantoin

Structural Information

Molecular Formula

C₁₁H₁₀N₂OS

SMILES

C/C(=C\1/C(=O)NC(=S)N1)/C2=CC=CC=C2

InChI

InChI=1S/C11H10N2OS/c1-7(8-5-3-2-4-6-8)9-10(14)13-11(15)12-9/h2-6H,1H3,(H2,12,13,14,15)/b9-7+

InChIKey

WKYMELHZFLXDBB-VQHVLOKHSA-N

Compound name

(5E)-5-(1-phenylethylidene)-2-sulfanylideneimidazolidin-4-one

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 1
References: 0
Patents: 218.05139 Da
Monoisotopic Mass: 2.3
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]+	219.058666	148.6
[M+Na]+	241.040608	156.7
[M-H]-	217.044114	150.3
[M+NH4]+	236.085213	165.5
[M+K]+	257.014548	150.6
[M+H-H2O]+	201.048650	142.2
[M+HCOO]-	263.049591	161.1
[M+CH3COO]-	277.065241	179.6
[M+Na-2H]-	239.026056	147.0
[M]+	218.05084142	143.9
[M]-	218.05193858	143.9

Literature stripe

literature stripe

Patent stripe

No patent data available for this compound.