CID 6446935

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

Structural Information

Molecular Formula
C18H14N4O3S2
SMILES
CC(=O)NC1=CC=C(C=C1)/C=C/2\C(=O)N(C(=S)S2)NC(=O)C3=CC=NC=C3
InChI
InChI=1S/C18H14N4O3S2/c1-11(23)20-14-4-2-12(3-5-14)10-15-17(25)22(18(26)27-15)21-16(24)13-6-8-19-9-7-13/h2-10H,1H3,(H,20,23)(H,21,24)/b15-10+
InChIKey
WFEACANRWOTTGE-XNTDXEJSSA-N
Compound name
N-[(5E)-5-[(4-acetamidophenyl)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

398.05072 Da
Monoisotopic Mass

2.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 399.05800 188.6
[M+Na]+ 421.03994 197.8
[M+NH4]+ 416.08454 193.7
[M+K]+ 437.01388 190.7
[M-H]- 397.04344 192.1
[M+Na-2H]- 419.02539 193.9
[M]+ 398.05017 191.3
[M]- 398.05127 191.3
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.