CID 129626311

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

Structural Information

Molecular Formula
C19H18N2O4S2
SMILES
COC1=CC=CC=C1NCN2C(=O)/C(=C\C3=CC(=C(C=C3)O)OC)/SC2=S
InChI
InChI=1S/C19H18N2O4S2/c1-24-15-6-4-3-5-13(15)20-11-21-18(23)17(27-19(21)26)10-12-7-8-14(22)16(9-12)25-2/h3-10,20,22H,11H2,1-2H3/b17-10+
InChIKey
HOXYPJPPNQPPBT-LICLKQGHSA-N
Compound name
(5E)-5-[(4-hydroxy-3-methoxyphenyl)methylidene]-3-[(2-methoxyanilino)methyl]-2-sulfanylidene-1,3-thiazolidin-4-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

402.0708 Da
Monoisotopic Mass

4.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 403.07808 191.5
[M+Na]+ 425.06002 199.6
[M-H]- 401.06352 198.7
[M+NH4]+ 420.10462 203.0
[M+K]+ 441.03396 192.0
[M+H-H2O]+ 385.06806 184.1
[M+HCOO]- 447.06900 202.7
[M+CH3COO]- 461.08465 219.0
[M+Na-2H]- 423.04547 187.9
[M]+ 402.07025 195.0
[M]- 402.07135 195.0
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.