CID 501036

Chembl150255

Structural Information

Molecular Formula
C14H9BrCl2N2OS
SMILES
C1C(=O)N(C(S1)C2=C(C=CC=C2Cl)Cl)C3=NC(=CC=C3)Br
InChI
InChI=1S/C14H9BrCl2N2OS/c15-10-5-2-6-11(18-10)19-12(20)7-21-14(19)13-8(16)3-1-4-9(13)17/h1-6,14H,7H2
InChIKey
SFMQMMHUFLKDAG-UHFFFAOYSA-N
Compound name
3-(6-bromo-2-pyridinyl)-2-(2,6-dichlorophenyl)-1,3-thiazolidin-4-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

3
References

0
Patents

401.8996 Da
Monoisotopic Mass

4.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 402.90688 169.5
[M+Na]+ 424.88882 185.1
[M-H]- 400.89232 179.8
[M+NH4]+ 419.93342 186.5
[M+K]+ 440.86276 170.2
[M+H-H2O]+ 384.89686 169.8
[M+HCOO]- 446.89780 175.2
[M+CH3COO]- 460.91345 183.2
[M+Na-2H]- 422.87427 170.1
[M]+ 401.89905 191.6
[M]- 401.90015 191.6
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.