CID 497224

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

Structural Information

Molecular Formula
C17H16F2N2OS
SMILES
C[C@H]1C(=O)N([C@@H](S1)C2=C(C=CC=C2F)F)C3=CC(=CC(=N3)C)C
InChI
InChI=1S/C17H16F2N2OS/c1-9-7-10(2)20-14(8-9)21-16(22)11(3)23-17(21)15-12(18)5-4-6-13(15)19/h4-8,11,17H,1-3H3/t11-,17-/m0/s1
InChIKey
MHYIUGQJABNPPL-GTNSWQLSSA-N
Compound name
(2S,5S)-2-(2,6-difluorophenyl)-3-(4,6-dimethylpyridin-2-yl)-5-methyl-1,3-thiazolidin-4-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

334.09515 Da
Monoisotopic Mass

4.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 335.10243 174.6
[M+Na]+ 357.08437 186.3
[M-H]- 333.08787 180.6
[M+NH4]+ 352.12897 189.1
[M+K]+ 373.05831 179.5
[M+H-H2O]+ 317.09241 164.8
[M+HCOO]- 379.09335 188.0
[M+CH3COO]- 393.10900 185.9
[M+Na-2H]- 355.06982 169.7
[M]+ 334.09460 175.1
[M]- 334.09570 175.1
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.