CID 6366167

3-(((2-ethoxyphenyl)amino)methyl)-5-((4-hydroxyphenyl)methylene)-2-thioxo-4-thiazolidinone

Structural Information

Molecular Formula
C19H18N2O3S2
SMILES
CCOC1=CC=CC=C1NCN2C(=O)/C(=C\C3=CC=C(C=C3)O)/SC2=S
InChI
InChI=1S/C19H18N2O3S2/c1-2-24-16-6-4-3-5-15(16)20-12-21-18(23)17(26-19(21)25)11-13-7-9-14(22)10-8-13/h3-11,20,22H,2,12H2,1H3/b17-11+
InChIKey
RKCVHDRACWFNSL-GZTJUZNOSA-N
Compound name
(5E)-3-[(2-ethoxyanilino)methyl]-5-[(4-hydroxyphenyl)methylidene]-2-sulfanylidene-1,3-thiazolidin-4-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

386.0759 Da
Monoisotopic Mass

4.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 387.08318 188.3
[M+Na]+ 409.06512 196.1
[M-H]- 385.06862 195.2
[M+NH4]+ 404.10972 200.4
[M+K]+ 425.03906 187.8
[M+H-H2O]+ 369.07316 180.8
[M+HCOO]- 431.07410 199.3
[M+CH3COO]- 445.08975 215.5
[M+Na-2H]- 407.05057 184.9
[M]+ 386.07535 190.0
[M]- 386.07645 190.0
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.