CID 76971755

Chembl4525804

Structural Information

Molecular Formula
C11H14N2OS
SMILES
C1[C@@H](NC(=O)N1CCS)C2=CC=CC=C2
InChI
InChI=1S/C11H14N2OS/c14-11-12-10(8-13(11)6-7-15)9-4-2-1-3-5-9/h1-5,10,15H,6-8H2,(H,12,14)/t10-/m1/s1
InChIKey
KKEBXNMGHUCPEZ-SNVBAGLBSA-N
Compound name
(4S)-4-phenyl-1-(2-sulfanylethyl)imidazolidin-2-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

222.08269 Da
Monoisotopic Mass

1.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 223.08997 150.0
[M+Na]+ 245.07191 161.5
[M+NH4]+ 240.11651 158.2
[M+K]+ 261.04585 154.6
[M-H]- 221.07541 152.2
[M+Na-2H]- 243.05736 155.3
[M]+ 222.08214 152.6
[M]- 222.08324 152.6
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

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No patent data available for this compound.