CID 497222

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

Structural Information

Molecular Formula
C16H14F2N2OS
SMILES
C[C@H]1C(=O)N([C@@H](S1)C2=C(C=CC=C2F)F)C3=CC=CC(=N3)C
InChI
InChI=1S/C16H14F2N2OS/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
VYFYKUDYDSRCCB-QFYYESIMSA-N
Compound name
(2S,5S)-2-(2,6-difluorophenyl)-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

320.0795 Da
Monoisotopic Mass

3.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 321.08678 170.3
[M+Na]+ 343.06872 181.7
[M-H]- 319.07222 176.1
[M+NH4]+ 338.11332 185.1
[M+K]+ 359.04266 175.1
[M+H-H2O]+ 303.07676 160.4
[M+HCOO]- 365.07770 184.1
[M+CH3COO]- 379.09335 181.7
[M+Na-2H]- 341.05417 166.6
[M]+ 320.07895 170.1
[M]- 320.08005 170.1
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.