CID 4356367

3-(4-methylphenyl)-5-(propan-2-yl)-2-sulfanylideneimidazolidin-4-one

Structural Information

Molecular Formula

C₁₃H₁₆N₂OS

SMILES

CC1=CC=C(C=C1)N2C(=O)C(NC2=S)C(C)C

InChI

InChI=1S/C13H16N2OS/c1-8(2)11-12(16)15(13(17)14-11)10-6-4-9(3)5-7-10/h4-8,11H,1-3H3,(H,14,17)

InChIKey

URLRESQYWGFJPO-UHFFFAOYSA-N

Compound name

3-(4-methylphenyl)-5-propan-2-yl-2-sulfanylideneimidazolidin-4-one

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 2
References: 0
Patents: 248.09833 Da
Monoisotopic Mass: 3.0
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]+	249.105606	156.5
[M+Na]+	271.087548	165.5
[M-H]-	247.091054	159.9
[M+NH4]+	266.132153	173.5
[M+K]+	287.061488	160.3
[M+H-H2O]+	231.095590	149.9
[M+HCOO]-	293.096531	169.6
[M+CH3COO]-	307.112181	192.0
[M+Na-2H]-	269.072996	153.1
[M]+	248.09778142	155.9
[M]-	248.09887858	155.9

Literature stripe

literature stripe

Patent stripe

No patent data available for this compound.