CID 129626314

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

Structural Information

Molecular Formula
C18H15N3O5S2
SMILES
COC1=C(C=CC(=C1)/C=C/2\C(=O)N(C(=S)S2)CNC3=CC=CC=C3[N+](=O)[O-])O
InChI
InChI=1S/C18H15N3O5S2/c1-26-15-8-11(6-7-14(15)22)9-16-17(23)20(18(27)28-16)10-19-12-4-2-3-5-13(12)21(24)25/h2-9,19,22H,10H2,1H3/b16-9+
InChIKey
NAFLFPTXZXQXFO-CXUHLZMHSA-N
Compound name
(5E)-5-[(4-hydroxy-3-methoxyphenyl)methylidene]-3-[(2-nitroanilino)methyl]-2-sulfanylidene-1,3-thiazolidin-4-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

417.04532 Da
Monoisotopic Mass

4.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 418.05260 190.1
[M+Na]+ 440.03454 200.7
[M+NH4]+ 435.07914 195.6
[M+K]+ 456.00848 195.7
[M-H]- 416.03804 194.9
[M+Na-2H]- 438.01999 194.8
[M]+ 417.04477 193.4
[M]- 417.04587 193.4
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.