CID 513689

2-(2-chloro-6-fluoro-3-methylphenyl)-3-(4,6-dimethylpyridin-2-yl)-1,3-thiazolidin-4-one

Structural Information

Molecular Formula
C17H16ClFN2OS
SMILES
CC1=C(C(=C(C=C1)F)C2N(C(=O)CS2)C3=CC(=CC(=N3)C)C)Cl
InChI
InChI=1S/C17H16ClFN2OS/c1-9-6-11(3)20-13(7-9)21-14(22)8-23-17(21)15-12(19)5-4-10(2)16(15)18/h4-7,17H,8H2,1-3H3
InChIKey
XCYJPHVRTPCPRH-UHFFFAOYSA-N
Compound name
2-(2-chloro-6-fluoro-3-methylphenyl)-3-(4,6-dimethylpyridin-2-yl)-1,3-thiazolidin-4-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

350.06558 Da
Monoisotopic Mass

4.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 351.07286 178.6
[M+Na]+ 373.05480 190.9
[M-H]- 349.05830 185.8
[M+NH4]+ 368.09940 193.4
[M+K]+ 389.02874 183.3
[M+H-H2O]+ 333.06284 170.2
[M+HCOO]- 395.06378 188.3
[M+CH3COO]- 409.07943 190.0
[M+Na-2H]- 371.04025 173.8
[M]+ 350.06503 182.1
[M]- 350.06613 182.1
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.