CID 129626312

4-thiazolidinone, 3-(((2-ethoxyphenyl)amino)methyl)-5-((4-hydroxy-3-methoxyphenyl)methylene)-2-thioxo-

Structural Information

Molecular Formula
C20H20N2O4S2
SMILES
CCOC1=CC=CC=C1NCN2C(=O)/C(=C\C3=CC(=C(C=C3)O)OC)/SC2=S
InChI
InChI=1S/C20H20N2O4S2/c1-3-26-16-7-5-4-6-14(16)21-12-22-19(24)18(28-20(22)27)11-13-8-9-15(23)17(10-13)25-2/h4-11,21,23H,3,12H2,1-2H3/b18-11+
InChIKey
RTNCMOSIFJHIBQ-WOJGMQOQSA-N
Compound name
(5E)-3-[(2-ethoxyanilino)methyl]-5-[(4-hydroxy-3-methoxyphenyl)methylidene]-2-sulfanylidene-1,3-thiazolidin-4-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

416.08646 Da
Monoisotopic Mass

4.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 417.09374 195.5
[M+Na]+ 439.07568 203.1
[M-H]- 415.07918 202.4
[M+NH4]+ 434.12028 206.4
[M+K]+ 455.04962 195.3
[M+H-H2O]+ 399.08372 187.9
[M+HCOO]- 461.08466 206.3
[M+CH3COO]- 475.10031 221.8
[M+Na-2H]- 437.06113 191.5
[M]+ 416.08591 199.2
[M]- 416.08701 199.2
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.