CID 497217

Chembl510468

Structural Information

Molecular Formula
C15H12F2N2S2
SMILES
CC1=CC(=NC=C1)N2C(SCC2=S)C3=C(C=CC=C3F)F
InChI
InChI=1S/C15H12F2N2S2/c1-9-5-6-18-12(7-9)19-13(20)8-21-15(19)14-10(16)3-2-4-11(14)17/h2-7,15H,8H2,1H3
InChIKey
LYMKLEUHOBDOKO-UHFFFAOYSA-N
Compound name
2-(2,6-difluorophenyl)-3-(4-methylpyridin-2-yl)-1,3-thiazolidine-4-thione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

2
References

0
Patents

322.041 Da
Monoisotopic Mass

3.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 323.04828 166.1
[M+Na]+ 345.03022 177.8
[M-H]- 321.03372 171.4
[M+NH4]+ 340.07482 181.1
[M+K]+ 361.00416 169.7
[M+H-H2O]+ 305.03826 157.2
[M+HCOO]- 367.03920 175.0
[M+CH3COO]- 381.05485 177.1
[M+Na-2H]- 343.01567 161.9
[M]+ 322.04045 165.1
[M]- 322.04155 165.1
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.