CID 6448360

3-(((4-methylphenyl)amino)methyl)-5-(3-phenyl-2-propenylidene)-2-thioxo-4-thiazolidinone

Structural Information

Molecular Formula
C20H18N2OS2
SMILES
CC1=CC=C(C=C1)NCN2C(=O)/C(=C\C=C\C3=CC=CC=C3)/SC2=S
InChI
InChI=1S/C20H18N2OS2/c1-15-10-12-17(13-11-15)21-14-22-19(23)18(25-20(22)24)9-5-8-16-6-3-2-4-7-16/h2-13,21H,14H2,1H3/b8-5+,18-9+
InChIKey
UGBAWLCDTCLLJM-HYZSBJHASA-N
Compound name
(5E)-3-[(4-methylanilino)methyl]-5-[(E)-3-phenylprop-2-enylidene]-2-sulfanylidene-1,3-thiazolidin-4-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

366.08606 Da
Monoisotopic Mass

5.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 367.09334 185.4
[M+Na]+ 389.07528 197.6
[M+NH4]+ 384.11988 193.3
[M+K]+ 405.04922 186.5
[M-H]- 365.07878 191.1
[M+Na-2H]- 387.06073 192.1
[M]+ 366.08551 189.6
[M]- 366.08661 189.6
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.