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 186.1
[M+Na]+ 389.07528 194.3
[M-H]- 365.07878 194.1
[M+NH4]+ 384.11988 199.8
[M+K]+ 405.04922 184.8
[M+H-H2O]+ 349.08332 178.3
[M+HCOO]- 411.08426 198.2
[M+CH3COO]- 425.09991 195.7
[M+Na-2H]- 387.06073 182.4
[M]+ 366.08551 186.0
[M]- 366.08661 186.0
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.