CID 486685

Chembl53540

Structural Information

Molecular Formula
C15H12F2N2OS
SMILES
CC1=CN=C(C=C1)N2C(SCC2=O)C3=C(C=CC=C3F)F
InChI
InChI=1S/C15H12F2N2OS/c1-9-5-6-12(18-7-9)19-13(20)8-21-15(19)14-10(16)3-2-4-11(14)17/h2-7,15H,8H2,1H3
InChIKey
LYVZDNAEPHFSCA-UHFFFAOYSA-N
Compound name
2-(2,6-difluorophenyl)-3-(5-methylpyridin-2-yl)-1,3-thiazolidin-4-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

3
References

0
Patents

306.06384 Da
Monoisotopic Mass

3.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 307.07112 165.8
[M+Na]+ 329.05306 176.9
[M-H]- 305.05656 171.5
[M+NH4]+ 324.09766 180.9
[M+K]+ 345.02700 170.5
[M+H-H2O]+ 289.06110 155.9
[M+HCOO]- 351.06204 180.0
[M+CH3COO]- 365.07769 177.4
[M+Na-2H]- 327.03851 163.3
[M]+ 306.06329 164.9
[M]- 306.06439 164.9
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.