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 191.4
[M+Na]+ 421.03994 198.3
[M-H]- 397.04344 198.3
[M+NH4]+ 416.08454 201.4
[M+K]+ 437.01388 190.6
[M+H-H2O]+ 381.04798 183.1
[M+HCOO]- 443.04892 202.2
[M+CH3COO]- 457.06457 220.5
[M+Na-2H]- 419.02539 188.6
[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.