CID 513685

3-(6-bromopyridin-2-yl)-2-(2,6-dimethoxyphenyl)-1,3-thiazolidin-4-one

Structural Information

Molecular Formula
C16H15BrN2O3S
SMILES
COC1=C(C(=CC=C1)OC)C2N(C(=O)CS2)C3=NC(=CC=C3)Br
InChI
InChI=1S/C16H15BrN2O3S/c1-21-10-5-3-6-11(22-2)15(10)16-19(14(20)9-23-16)13-8-4-7-12(17)18-13/h3-8,16H,9H2,1-2H3
InChIKey
MXZBFFCWGLPQIW-UHFFFAOYSA-N
Compound name
3-(6-bromopyridin-2-yl)-2-(2,6-dimethoxyphenyl)-1,3-thiazolidin-4-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

393.9987 Da
Monoisotopic Mass

3.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 395.00598 173.5
[M+Na]+ 416.98792 186.4
[M-H]- 392.99142 184.1
[M+NH4]+ 412.03252 189.1
[M+K]+ 432.96186 174.5
[M+H-H2O]+ 376.99596 172.3
[M+HCOO]- 438.99690 188.2
[M+CH3COO]- 453.01255 187.0
[M+Na-2H]- 414.97337 174.3
[M]+ 393.99815 196.3
[M]- 393.99925 196.3
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.