CID 477907

Chembl510695

Structural Information

Molecular Formula
C24H20FN3O4S
SMILES
COC1=CC=C(C=C1)C(=O)NC2=CC=C(C=C2)C(=O)NN3C(SCC3=O)C4=CC=C(C=C4)F
InChI
InChI=1S/C24H20FN3O4S/c1-32-20-12-6-15(7-13-20)22(30)26-19-10-4-16(5-11-19)23(31)27-28-21(29)14-33-24(28)17-2-8-18(25)9-3-17/h2-13,24H,14H2,1H3,(H,26,30)(H,27,31)
InChIKey
IODXSYGBPZEJES-UHFFFAOYSA-N
Compound name
N-[2-(4-fluorophenyl)-4-oxo-1,3-thiazolidin-3-yl]-4-[(4-methoxybenzoyl)amino]benzamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

3
References

0
Patents

465.11584 Da
Monoisotopic Mass

3.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 466.12312 208.2
[M+Na]+ 488.10506 213.3
[M-H]- 464.10856 218.4
[M+NH4]+ 483.14966 215.9
[M+K]+ 504.07900 207.5
[M+H-H2O]+ 448.11310 197.1
[M+HCOO]- 510.11404 223.7
[M+CH3COO]- 524.12969 235.8
[M+Na-2H]- 486.09051 204.9
[M]+ 465.11529 208.3
[M]- 465.11639 208.3
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.