CID 6446937

N-(5-((4-nitrophenyl)methylene)-4-oxo-2-thioxo-3-thiazolidinyl)-4-pyridinecarboxamide

Structural Information

Molecular Formula
C16H10N4O4S2
SMILES
C1=CC(=CC=C1/C=C/2\C(=O)N(C(=S)S2)NC(=O)C3=CC=NC=C3)[N+](=O)[O-]
InChI
InChI=1S/C16H10N4O4S2/c21-14(11-5-7-17-8-6-11)18-19-15(22)13(26-16(19)25)9-10-1-3-12(4-2-10)20(23)24/h1-9H,(H,18,21)/b13-9+
InChIKey
SOMHQKDZPNHHCS-UKTHLTGXSA-N
Compound name
N-[(5E)-5-[(4-nitrophenyl)methylidene]-4-oxo-2-sulfanylidene-1,3-thiazolidin-3-yl]pyridine-4-carboxamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

386.01434 Da
Monoisotopic Mass

2.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 387.02162 179.4
[M+Na]+ 409.00356 190.3
[M+NH4]+ 404.04816 185.0
[M+K]+ 424.97750 185.6
[M-H]- 385.00706 184.0
[M+Na-2H]- 406.98901 185.3
[M]+ 386.01379 182.6
[M]- 386.01489 182.6
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.