CID 1365206

N-[(5e)-5-(2-ethoxybenzylidene)-4-oxo-2-thioxo-1,3-thiazolidin-3-yl]-2-methylbenzamide

Structural Information

Molecular Formula
C20H18N2O3S2
SMILES
CCOC1=CC=CC=C1/C=C/2\C(=O)N(C(=S)S2)NC(=O)C3=CC=CC=C3C
InChI
InChI=1S/C20H18N2O3S2/c1-3-25-16-11-7-5-9-14(16)12-17-19(24)22(20(26)27-17)21-18(23)15-10-6-4-8-13(15)2/h4-12H,3H2,1-2H3,(H,21,23)/b17-12+
InChIKey
MCRRCTJMIVJIKL-SFQUDFHCSA-N
Compound name
N-[(5E)-5-[(2-ethoxyphenyl)methylidene]-4-oxo-2-sulfanylidene-1,3-thiazolidin-3-yl]-2-methylbenzamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

398.0759 Da
Monoisotopic Mass

4.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 399.08318 192.3
[M+Na]+ 421.06512 203.3
[M+NH4]+ 416.10972 198.9
[M+K]+ 437.03906 194.3
[M-H]- 397.06862 196.9
[M+Na-2H]- 419.05057 197.7
[M]+ 398.07535 195.9
[M]- 398.07645 195.9
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.