CID 1385877

4-pyridinecarboxamide, n-(5-((3-hydroxyphenyl)methylene)-4-oxo-2-thioxo-3-thiazolidinyl)-

Structural Information

Molecular Formula
C16H11N3O3S2
SMILES
C1=CC(=CC(=C1)O)/C=C/2\C(=O)N(C(=S)S2)NC(=O)C3=CC=NC=C3
InChI
InChI=1S/C16H11N3O3S2/c20-12-3-1-2-10(8-12)9-13-15(22)19(16(23)24-13)18-14(21)11-4-6-17-7-5-11/h1-9,20H,(H,18,21)/b13-9+
InChIKey
RDUPKLFOXJQQJS-UKTHLTGXSA-N
Compound name
N-[(5E)-5-[(3-hydroxyphenyl)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

357.02417 Da
Monoisotopic Mass

2.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 358.03145 178.5
[M+Na]+ 380.01339 189.4
[M+NH4]+ 375.05799 184.6
[M+K]+ 395.98733 181.7
[M-H]- 356.01689 182.0
[M+Na-2H]- 377.99884 184.1
[M]+ 357.02362 181.6
[M]- 357.02472 181.6
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.