CID 5680201

5-[(2,3-dichlorophenyl)methylidene]-3-(4-methylphenyl)-2-sulfanylideneimidazolidin-4-one

Structural Information

Molecular Formula

C₁₇H₁₂Cl₂N₂OS

SMILES

CC1=CC=C(C=C1)N2C(=O)/C(=C/C3=C(C(=CC=C3)Cl)Cl)/NC2=S

InChI

InChI=1S/C17H12Cl2N2OS/c1-10-5-7-12(8-6-10)21-16(22)14(20-17(21)23)9-11-3-2-4-13(18)15(11)19/h2-9H,1H3,(H,20,23)/b14-9-

InChIKey

MCMRWUDJBVYIOC-ZROIWOOFSA-N

Compound name

(5Z)-5-[(2,3-dichlorophenyl)methylidene]-3-(4-methylphenyl)-2-sulfanylideneimidazolidin-4-one

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 0
Patents: 362.00473 Da
Monoisotopic Mass: 5.0
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]+	363.012006	182.4
[M+Na]+	384.993948	194.1
[M-H]-	360.997454	188.6
[M+NH4]+	380.038553	196.0
[M+K]+	400.967888	184.1
[M+H-H2O]+	345.001990	175.6
[M+HCOO]-	407.002931	187.0
[M+CH3COO]-	421.018581	192.5
[M+Na-2H]-	382.979396	177.6
[M]+	362.00418142	184.2
[M]-	362.00527858	184.2

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.