CID 497223

(2s,5s)-2-(2,6-dichlorophenyl)-5-methyl-3-(6-methyl-2-pyridyl)thiazolidin-4-one

Structural Information

Molecular Formula
C16H14Cl2N2OS
SMILES
C[C@H]1C(=O)N([C@@H](S1)C2=C(C=CC=C2Cl)Cl)C3=CC=CC(=N3)C
InChI
InChI=1S/C16H14Cl2N2OS/c1-9-5-3-8-13(19-9)20-15(21)10(2)22-16(20)14-11(17)6-4-7-12(14)18/h3-8,10,16H,1-2H3/t10-,16-/m0/s1
InChIKey
YYBVUPBQVJVWFZ-QFYYESIMSA-N
Compound name
(2S,5S)-2-(2,6-dichlorophenyl)-5-methyl-3-(6-methylpyridin-2-yl)-1,3-thiazolidin-4-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

352.0204 Da
Monoisotopic Mass

4.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 353.02768 178.5
[M+Na]+ 375.00962 190.4
[M-H]- 351.01312 186.1
[M+NH4]+ 370.05422 193.4
[M+K]+ 390.98356 182.8
[M+H-H2O]+ 335.01766 171.3
[M+HCOO]- 397.01860 184.5
[M+CH3COO]- 411.03425 189.7
[M+Na-2H]- 372.99507 174.6
[M]+ 352.01985 183.2
[M]- 352.02095 183.2
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.