CID 1324402

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

Structural Information

Molecular Formula
C19H14ClNO3S
SMILES
CC1=CC=C(C=C1)/C=C/2\C(=O)N(C(=O)S2)CC(=O)C3=CC=C(C=C3)Cl
InChI
InChI=1S/C19H14ClNO3S/c1-12-2-4-13(5-3-12)10-17-18(23)21(19(24)25-17)11-16(22)14-6-8-15(20)9-7-14/h2-10H,11H2,1H3/b17-10+
InChIKey
OHUJPPORGJUZPD-LICLKQGHSA-N
Compound name
(5E)-3-[2-(4-chlorophenyl)-2-oxoethyl]-5-[(4-methylphenyl)methylidene]-1,3-thiazolidine-2,4-dione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

371.0383 Da
Monoisotopic Mass

4.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 372.04558 185.4
[M+Na]+ 394.02752 199.7
[M+NH4]+ 389.07212 192.8
[M+K]+ 410.00146 191.3
[M-H]- 370.03102 189.9
[M+Na-2H]- 392.01297 192.0
[M]+ 371.03775 189.4
[M]- 371.03885 189.4
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.