CID 155543700

Chembl4525786

Structural Information

Molecular Formula
C12H16N2OS
SMILES
CSCCN1C[C@@H](NC1=O)C2=CC=CC=C2
InChI
InChI=1S/C12H16N2OS/c1-16-8-7-14-9-11(13-12(14)15)10-5-3-2-4-6-10/h2-6,11H,7-9H2,1H3,(H,13,15)/t11-/m1/s1
InChIKey
IZFCJBVYODRRRU-LLVKDONJSA-N
Compound name
(4S)-1-(2-methylsulfanylethyl)-4-phenylimidazolidin-2-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

236.09833 Da
Monoisotopic Mass

1.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 237.10561 153.2
[M+Na]+ 259.08755 161.0
[M-H]- 235.09105 155.9
[M+NH4]+ 254.13215 170.2
[M+K]+ 275.06149 156.2
[M+H-H2O]+ 219.09559 145.9
[M+HCOO]- 281.09653 167.6
[M+CH3COO]- 295.11218 186.6
[M+Na-2H]- 257.07300 152.6
[M]+ 236.09778 152.7
[M]- 236.09888 152.7
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

No patent data available for this compound.