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 188.8
[M+Na]+ 405.07018 200.4
[M+NH4]+ 400.11478 196.1
[M+K]+ 421.04412 189.8
[M-H]- 381.07368 194.0
[M+Na-2H]- 403.05563 195.0
[M]+ 382.08041 192.7
[M]- 382.08151 192.7
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.