CID 2266922

3-phenacyl-5-(4-chlorobenzylidene)thiazolidine-2,4-dione

Structural Information

Molecular Formula
C18H12ClNO3S
SMILES
C1=CC=C(C=C1)C(=O)CN2C(=O)/C(=C\C3=CC=C(C=C3)Cl)/SC2=O
InChI
InChI=1S/C18H12ClNO3S/c19-14-8-6-12(7-9-14)10-16-17(22)20(18(23)24-16)11-15(21)13-4-2-1-3-5-13/h1-10H,11H2/b16-10+
InChIKey
GZFDWBIJGHYTEJ-MHWRWJLKSA-N
Compound name
(5E)-5-[(4-chlorophenyl)methylidene]-3-phenacyl-1,3-thiazolidine-2,4-dione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

357.02264 Da
Monoisotopic Mass

4.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 358.02992 181.8
[M+Na]+ 380.01186 191.3
[M-H]- 356.01536 190.9
[M+NH4]+ 375.05646 196.4
[M+K]+ 395.98580 184.0
[M+H-H2O]+ 340.01990 174.6
[M+HCOO]- 402.02084 193.7
[M+CH3COO]- 416.03649 208.2
[M+Na-2H]- 377.99731 178.5
[M]+ 357.02209 185.1
[M]- 357.02319 185.1
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.