CID 155543779

Chembl4525806

Structural Information

Molecular Formula

C₁₂H₁₆N₂O₂S

SMILES

CS(=O)CCN1C[C@@H](NC1=O)C2=CC=CC=C2

InChI

InChI=1S/C12H16N2O2S/c1-17(16)8-7-14-9-11(13-12(14)15)10-5-3-2-4-6-10/h2-6,11H,7-9H2,1H3,(H,13,15)/t11-,17?/m1/s1

InChIKey

ZMMMQJYDAACFRG-VCQTYVLVSA-N

Compound name

(4S)-1-(2-methylsulfinylethyl)-4-phenylimidazolidin-2-one

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 0
Patents: 252.09325 Da
Monoisotopic Mass: -0.1
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]+	253.100526	156.6
[M+Na]+	275.082468	164.0
[M-H]-	251.085974	159.3
[M+NH4]+	270.127073	172.7
[M+K]+	291.056408	159.6
[M+H-H2O]+	235.090510	149.3
[M+HCOO]-	297.091451	170.2
[M+CH3COO]-	311.107101	188.7
[M+Na-2H]-	273.067916	155.0
[M]+	252.09270142	156.1
[M]-	252.09379858	156.1

Literature stripe

literature stripe

Patent stripe

No patent data available for this compound.