CID 1365666

N-[5-(4-fluoro-benzylidene)-4-oxo-2-thioxo-thiazolidin-3-yl]-isonicotinamide

Structural Information

Molecular Formula
C16H10FN3O2S2
SMILES
C1=CC(=CC=C1/C=C\2/C(=O)N(C(=S)S2)NC(=O)C3=CC=NC=C3)F
InChI
InChI=1S/C16H10FN3O2S2/c17-12-3-1-10(2-4-12)9-13-15(22)20(16(23)24-13)19-14(21)11-5-7-18-8-6-11/h1-9H,(H,19,21)/b13-9-
InChIKey
FLAADWAHAGTKBT-LCYFTJDESA-N
Compound name
N-[(5Z)-5-[(4-fluorophenyl)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

359.01984 Da
Monoisotopic Mass

3.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 360.02712 179.0
[M+Na]+ 382.00906 188.4
[M-H]- 358.01256 185.1
[M+NH4]+ 377.05366 191.4
[M+K]+ 397.98300 180.2
[M+H-H2O]+ 342.01710 170.4
[M+HCOO]- 404.01804 189.3
[M+CH3COO]- 418.03369 188.7
[M+Na-2H]- 379.99451 176.0
[M]+ 359.01929 178.0
[M]- 359.02039 178.0
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.