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]+ 237.105606 153.2
[M+Na]+ 259.087548 161.0
[M-H]- 235.091054 155.9
[M+NH4]+ 254.132153 170.2
[M+K]+ 275.061488 156.2
[M+H-H2O]+ 219.095590 145.9
[M+HCOO]- 281.096531 167.6
[M+CH3COO]- 295.112181 186.6
[M+Na-2H]- 257.072996 152.6
[M]+ 236.09778142 152.7
[M]- 236.09887858 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.