CID 6375074

4-pyridinecarboxamide, n-(5-(3-(2-furanyl)-2-propenylidene)-4-oxo-2-thioxo-3-thiazolidinyl)-

Structural Information

Molecular Formula
C16H11N3O3S2
SMILES
C1=COC(=C1)/C=C/C=C/2\C(=O)N(C(=S)S2)NC(=O)C3=CC=NC=C3
InChI
InChI=1S/C16H11N3O3S2/c20-14(11-6-8-17-9-7-11)18-19-15(21)13(24-16(19)23)5-1-3-12-4-2-10-22-12/h1-10H,(H,18,20)/b3-1+,13-5+
InChIKey
LVHBCOYAXHVCRP-GRWPVRQFSA-N
Compound name
N-[(5E)-5-[(E)-3-(furan-2-yl)prop-2-enylidene]-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

2.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 358.03145 183.6
[M+Na]+ 380.01339 192.8
[M-H]- 356.01689 192.1
[M+NH4]+ 375.05799 196.7
[M+K]+ 395.98733 186.9
[M+H-H2O]+ 340.02143 177.2
[M+HCOO]- 402.02237 195.8
[M+CH3COO]- 416.03802 193.9
[M+Na-2H]- 377.99884 179.5
[M]+ 357.02362 185.4
[M]- 357.02472 185.4
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.