CID 15956000

5-(3,5-difluorophenyl)-n-[2-(4-fluorophenyl)-4-oxo-thiazolidin-3-yl]-2-hydroxy-benzamide

Structural Information

Molecular Formula
C22H15F3N2O3S
SMILES
C1C(=O)N(C(S1)C2=CC=C(C=C2)F)NC(=O)C3=C(C=CC(=C3)C4=CC(=CC(=C4)F)F)O
InChI
InChI=1S/C22H15F3N2O3S/c23-15-4-1-12(2-5-15)22-27(20(29)11-31-22)26-21(30)18-9-13(3-6-19(18)28)14-7-16(24)10-17(25)8-14/h1-10,22,28H,11H2,(H,26,30)
InChIKey
ZQTKBMYVSRISSF-UHFFFAOYSA-N
Compound name
5-(3,5-difluorophenyl)-N-[2-(4-fluorophenyl)-4-oxo-1,3-thiazolidin-3-yl]-2-hydroxybenzamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

444.07556 Da
Monoisotopic Mass

5.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 445.08284 200.4
[M+Na]+ 467.06478 209.2
[M-H]- 443.06828 207.6
[M+NH4]+ 462.10938 209.4
[M+K]+ 483.03872 201.1
[M+H-H2O]+ 427.07282 188.7
[M+HCOO]- 489.07376 212.6
[M+CH3COO]- 503.08941 208.6
[M+Na-2H]- 465.05023 194.9
[M]+ 444.07501 197.7
[M]- 444.07611 197.7
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.