CID 6448847

5-(3-bromobenzylidene)-3-(4-chlorophenacyl)thiazolidine-2,4-dione

Structural Information

Molecular Formula
C18H11BrClNO3S
SMILES
C1=CC(=CC(=C1)Br)/C=C/2\C(=O)N(C(=O)S2)CC(=O)C3=CC=C(C=C3)Cl
InChI
InChI=1S/C18H11BrClNO3S/c19-13-3-1-2-11(8-13)9-16-17(23)21(18(24)25-16)10-15(22)12-4-6-14(20)7-5-12/h1-9H,10H2/b16-9+
InChIKey
GIKVODPEDFQKDE-CXUHLZMHSA-N
Compound name
(5E)-5-[(3-bromophenyl)methylidene]-3-[2-(4-chlorophenyl)-2-oxoethyl]-1,3-thiazolidine-2,4-dione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

434.93314 Da
Monoisotopic Mass

5.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 435.94042 183.1
[M+Na]+ 457.92236 196.5
[M-H]- 433.92586 194.8
[M+NH4]+ 452.96696 199.0
[M+K]+ 473.89630 181.7
[M+H-H2O]+ 417.93040 183.1
[M+HCOO]- 479.93134 193.4
[M+CH3COO]- 493.94699 217.3
[M+Na-2H]- 455.90781 181.7
[M]+ 434.93259 205.4
[M]- 434.93369 205.4
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.