CID 6366169

5-((4-hydroxyphenyl)methylene)-3-(((4-nitrophenyl)amino)methyl)-2-thioxo-4-thiazolidinone

Structural Information

Molecular Formula
C17H13N3O4S2
SMILES
C1=CC(=CC=C1/C=C/2\C(=O)N(C(=S)S2)CNC3=CC=C(C=C3)[N+](=O)[O-])O
InChI
InChI=1S/C17H13N3O4S2/c21-14-7-1-11(2-8-14)9-15-16(22)19(17(25)26-15)10-18-12-3-5-13(6-4-12)20(23)24/h1-9,18,21H,10H2/b15-9+
InChIKey
UARWQLKYQVTUQD-OQLLNIDSSA-N
Compound name
(5E)-5-[(4-hydroxyphenyl)methylidene]-3-[(4-nitroanilino)methyl]-2-sulfanylidene-1,3-thiazolidin-4-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

387.03476 Da
Monoisotopic Mass

4.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 388.04204 181.7
[M+Na]+ 410.02398 192.7
[M+NH4]+ 405.06858 188.0
[M+K]+ 425.99792 187.2
[M-H]- 386.02748 187.0
[M+Na-2H]- 408.00943 187.3
[M]+ 387.03421 185.2
[M]- 387.03531 185.2
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.