CID 497220

2-(2,6-difluorophenyl)-3-(4,6-dimethyl-2-pyridyl)thiazolidine-4-thione

Structural Information

Molecular Formula
C16H14F2N2S2
SMILES
CC1=CC(=NC(=C1)N2C(SCC2=S)C3=C(C=CC=C3F)F)C
InChI
InChI=1S/C16H14F2N2S2/c1-9-6-10(2)19-13(7-9)20-14(21)8-22-16(20)15-11(17)4-3-5-12(15)18/h3-7,16H,8H2,1-2H3
InChIKey
BVSPPKRCCIMPGE-UHFFFAOYSA-N
Compound name
2-(2,6-difluorophenyl)-3-(4,6-dimethylpyridin-2-yl)-1,3-thiazolidine-4-thione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

336.05664 Da
Monoisotopic Mass

4.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 337.06392 170.2
[M+Na]+ 359.04586 182.2
[M-H]- 335.04936 175.7
[M+NH4]+ 354.09046 185.0
[M+K]+ 375.01980 173.9
[M+H-H2O]+ 319.05390 161.4
[M+HCOO]- 381.05484 178.7
[M+CH3COO]- 395.07049 181.1
[M+Na-2H]- 357.03131 164.9
[M]+ 336.05609 169.9
[M]- 336.05719 169.9
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.