CID 6448361

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

Structural Information

Molecular Formula
C20H18N2O2S2
SMILES
COC1=CC=C(C=C1)NCN2C(=O)/C(=C\C=C\C3=CC=CC=C3)/SC2=S
InChI
InChI=1S/C20H18N2O2S2/c1-24-17-12-10-16(11-13-17)21-14-22-19(23)18(26-20(22)25)9-5-8-15-6-3-2-4-7-15/h2-13,21H,14H2,1H3/b8-5+,18-9+
InChIKey
ALNMAIIGKKUCEZ-HYZSBJHASA-N
Compound name
(5E)-3-[(4-methoxyanilino)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

382.08096 Da
Monoisotopic Mass

5.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 383.08824 189.6
[M+Na]+ 405.07018 197.5
[M-H]- 381.07368 197.6
[M+NH4]+ 400.11478 202.5
[M+K]+ 421.04412 188.6
[M+H-H2O]+ 365.07822 181.7
[M+HCOO]- 427.07916 201.9
[M+CH3COO]- 441.09481 216.0
[M+Na-2H]- 403.05563 186.3
[M]+ 382.08041 190.9
[M]- 382.08151 190.9
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.