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

Adduct m/z Predicted CCS (Ų)
[M+H]+ 253.10053 157.3
[M+Na]+ 275.08247 167.8
[M+NH4]+ 270.12707 164.3
[M+K]+ 291.05641 162.0
[M-H]- 251.08597 158.5
[M+Na-2H]- 273.06792 161.5
[M]+ 252.09270 159.3
[M]- 252.09380 159.3
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.