CID 497227

(2s,5r)-3-(6-bromo-2-pyridyl)-2-(2,6-difluorophenyl)-5-methyl-thiazolidin-4-one

Structural Information

Molecular Formula
C15H11BrF2N2OS
SMILES
C[C@@H]1C(=O)N([C@@H](S1)C2=C(C=CC=C2F)F)C3=NC(=CC=C3)Br
InChI
InChI=1S/C15H11BrF2N2OS/c1-8-14(21)20(12-7-3-6-11(16)19-12)15(22-8)13-9(17)4-2-5-10(13)18/h2-8,15H,1H3/t8-,15+/m1/s1
InChIKey
BBVWXMDHDUXSRE-GLEZIHRCSA-N
Compound name
(2S,5R)-3-(6-bromopyridin-2-yl)-2-(2,6-difluorophenyl)-5-methyl-1,3-thiazolidin-4-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

383.97437 Da
Monoisotopic Mass

4.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 384.98165 171.0
[M+Na]+ 406.96359 185.8
[M-H]- 382.96709 179.6
[M+NH4]+ 402.00819 187.4
[M+K]+ 422.93753 171.9
[M+H-H2O]+ 366.97163 168.7
[M+HCOO]- 428.97257 183.6
[M+CH3COO]- 442.98822 184.4
[M+Na-2H]- 404.94904 170.0
[M]+ 383.97382 189.4
[M]- 383.97492 189.4
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.