CID 6346718

5-(4-hydroxybenzylidene)-3-(4-nitrobenzyl)-1,3-thiazolidine-2,4-dione

Structural Information

Molecular Formula
C17H12N2O5S
SMILES
C1=CC(=CC=C1CN2C(=O)/C(=C\C3=CC=C(C=C3)O)/SC2=O)[N+](=O)[O-]
InChI
InChI=1S/C17H12N2O5S/c20-14-7-3-11(4-8-14)9-15-16(21)18(17(22)25-15)10-12-1-5-13(6-2-12)19(23)24/h1-9,20H,10H2/b15-9+
InChIKey
JXFUWHHHRNHOLB-OQLLNIDSSA-N
Compound name
(5E)-5-[(4-hydroxyphenyl)methylidene]-3-[(4-nitrophenyl)methyl]-1,3-thiazolidine-2,4-dione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

356.0467 Da
Monoisotopic Mass

3.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 357.05398 178.6
[M+Na]+ 379.03592 191.3
[M+NH4]+ 374.08052 184.7
[M+K]+ 395.00986 187.7
[M-H]- 355.03942 183.2
[M+Na-2H]- 377.02137 184.4
[M]+ 356.04615 181.8
[M]- 356.04725 181.8
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.