CID 3012187

Nsc726413

Structural Information

Molecular Formula
C13H9F2N3OS
SMILES
C1C(=O)N(C(S1)C2=C(C=CC=C2F)F)C3=NC=CC=N3
InChI
InChI=1S/C13H9F2N3OS/c14-8-3-1-4-9(15)11(8)12-18(10(19)7-20-12)13-16-5-2-6-17-13/h1-6,12H,7H2
InChIKey
DSSJMFNIJGKJMW-UHFFFAOYSA-N
Compound name
2-(2,6-difluorophenyl)-3-pyrimidin-2-yl-1,3-thiazolidin-4-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

293.04343 Da
Monoisotopic Mass

2.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 294.05071 161.3
[M+Na]+ 316.03265 172.4
[M-H]- 292.03615 165.5
[M+NH4]+ 311.07725 175.2
[M+K]+ 332.00659 166.2
[M+H-H2O]+ 276.04069 150.7
[M+HCOO]- 338.04163 174.8
[M+CH3COO]- 352.05728 172.5
[M+Na-2H]- 314.01810 160.2
[M]+ 293.04288 159.7
[M]- 293.04398 159.7
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.