CID 3001907

5-[(z)-(4-chloro-phenyl-methyl)methylidene]-2-thiohydantoin

Structural Information

Molecular Formula

C₁₁H₉ClN₂OS

SMILES

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

InChI

InChI=1S/C11H9ClN2OS/c1-6(7-2-4-8(12)5-3-7)9-10(15)14-11(16)13-9/h2-5H,1H3,(H2,13,14,15,16)/b9-6+

InChIKey

JMGLFFALJSYHCI-RMKNXTFCSA-N

Compound name

(5E)-5-[1-(4-chlorophenyl)ethylidene]-2-sulfanylideneimidazolidin-4-one

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 1
References: 0
Patents: 252.0124 Da
Monoisotopic Mass: 2.9
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]+	253.019676	154.7
[M+Na]+	275.001618	164.1
[M-H]-	251.005124	156.7
[M+NH4]+	270.046223	171.3
[M+K]+	290.975558	156.4
[M+H-H2O]+	235.009660	149.1
[M+HCOO]-	297.010601	162.5
[M+CH3COO]-	311.026251	165.6
[M+Na-2H]-	272.987066	152.0
[M]+	252.01185142	152.1
[M]-	252.01294858	152.1

Literature stripe

literature stripe

Patent stripe

No patent data available for this compound.