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]+ 223.089966 148.9
[M+Na]+ 245.071908 157.1
[M-H]- 221.075414 151.8
[M+NH4]+ 240.116513 166.5
[M+K]+ 261.045848 152.6
[M+H-H2O]+ 205.079950 141.8
[M+HCOO]- 267.080891 163.6
[M+CH3COO]- 281.096541 183.6
[M+Na-2H]- 243.057356 148.8
[M]+ 222.08214142 148.0
[M]- 222.08323858 148.0
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.