CID 6434266

4-imidazolidinone, 3-(4-bromophenyl)-5-((2,4-dimethylphenyl)methylene)-2-thioxo-

Structural Information

Molecular Formula

C₁₈H₁₅BrN₂OS

SMILES

CC1=CC(=C(C=C1)/C=C\2/C(=O)N(C(=S)N2)C3=CC=C(C=C3)Br)C

InChI

InChI=1S/C18H15BrN2OS/c1-11-3-4-13(12(2)9-11)10-16-17(22)21(18(23)20-16)15-7-5-14(19)6-8-15/h3-10H,1-2H3,(H,20,23)/b16-10-

InChIKey

PBLIYTRFDCTFFJ-YBEGLDIGSA-N

Compound name

(5Z)-3-(4-bromophenyl)-5-[(2,4-dimethylphenyl)methylidene]-2-sulfanylideneimidazolidin-4-one

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 0
Patents: 386.00885 Da
Monoisotopic Mass: 4.8
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]+	387.016126	175.2
[M+Na]+	408.998068	188.8
[M-H]-	385.001574	184.7
[M+NH4]+	404.042673	190.9
[M+K]+	424.972008	173.3
[M+H-H2O]+	369.006110	174.6
[M+HCOO]-	431.007051	187.8
[M+CH3COO]-	445.022701	188.1
[M+Na-2H]-	406.983516	173.7
[M]+	386.00830142	193.4
[M]-	386.00939858	193.4

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.