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 181.2
[M+Na]+ 379.03592 187.8
[M-H]- 355.03942 188.9
[M+NH4]+ 374.08052 192.9
[M+K]+ 395.00986 177.7
[M+H-H2O]+ 339.04396 177.5
[M+HCOO]- 401.04490 197.9
[M+CH3COO]- 415.06055 201.5
[M+Na-2H]- 377.02137 181.5
[M]+ 356.04615 179.6
[M]- 356.04725 179.6
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.