CID 49768032

3-(5-bromo-6-methyl-2-pyridyl)-2-(2,6-dichlorophenyl)thiazolidin-4-one

Structural Information

Molecular Formula
C15H11BrCl2N2OS
SMILES
CC1=C(C=CC(=N1)N2C(SCC2=O)C3=C(C=CC=C3Cl)Cl)Br
InChI
InChI=1S/C15H11BrCl2N2OS/c1-8-9(16)5-6-12(19-8)20-13(21)7-22-15(20)14-10(17)3-2-4-11(14)18/h2-6,15H,7H2,1H3
InChIKey
WBSSHXLPFOXGFJ-UHFFFAOYSA-N
Compound name
3-(5-bromo-6-methylpyridin-2-yl)-2-(2,6-dichlorophenyl)-1,3-thiazolidin-4-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

415.91525 Da
Monoisotopic Mass

5.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 416.92253 173.8
[M+Na]+ 438.90447 189.6
[M-H]- 414.90797 184.2
[M+NH4]+ 433.94907 190.5
[M+K]+ 454.87841 174.6
[M+H-H2O]+ 398.91251 174.0
[M+HCOO]- 460.91345 179.1
[M+CH3COO]- 474.92910 187.4
[M+Na-2H]- 436.88992 173.2
[M]+ 415.91470 196.5
[M]- 415.91580 196.5
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.