CID 513682

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

Structural Information

Molecular Formula
C15H12BrFN2O2S
SMILES
COC1=C(C(=CC=C1)F)C2N(C(=O)CS2)C3=NC(=CC=C3)Br
InChI
InChI=1S/C15H12BrFN2O2S/c1-21-10-5-2-4-9(17)14(10)15-19(13(20)8-22-15)12-7-3-6-11(16)18-12/h2-7,15H,8H2,1H3
InChIKey
LPQHIMLNUZVTAM-UHFFFAOYSA-N
Compound name
3-(6-bromopyridin-2-yl)-2-(2-fluoro-6-methoxyphenyl)-1,3-thiazolidin-4-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

381.9787 Da
Monoisotopic Mass

3.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 382.98598 170.2
[M+Na]+ 404.96792 183.9
[M-H]- 380.97142 179.7
[M+NH4]+ 400.01252 186.4
[M+K]+ 420.94186 171.1
[M+H-H2O]+ 364.97596 168.5
[M+HCOO]- 426.97690 184.1
[M+CH3COO]- 440.99255 183.8
[M+Na-2H]- 402.95337 170.6
[M]+ 381.97815 190.5
[M]- 381.97925 190.5
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.