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 148.9
[M+Na]+ 245.07191 157.1
[M-H]- 221.07541 151.8
[M+NH4]+ 240.11651 166.5
[M+K]+ 261.04585 152.6
[M+H-H2O]+ 205.07995 141.8
[M+HCOO]- 267.08089 163.6
[M+CH3COO]- 281.09654 183.6
[M+Na-2H]- 243.05736 148.8
[M]+ 222.08214 148.0
[M]- 222.08324 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.