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 185.5
[M+Na]+ 410.02398 191.2
[M-H]- 386.02748 192.3
[M+NH4]+ 405.06858 195.8
[M+K]+ 425.99792 178.8
[M+H-H2O]+ 370.03202 181.9
[M+HCOO]- 432.03296 197.4
[M+CH3COO]- 446.04861 208.6
[M+Na-2H]- 408.00943 185.7
[M]+ 387.03421 182.4
[M]- 387.03531 182.4
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.