CID 6446938

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

Structural Information

Molecular Formula
C20H12BrN3O3S2
SMILES
C1=CC(=CC=C1C2=CC=C(O2)/C=C/3\C(=O)N(C(=S)S3)NC(=O)C4=CC=NC=C4)Br
InChI
InChI=1S/C20H12BrN3O3S2/c21-14-3-1-12(2-4-14)16-6-5-15(27-16)11-17-19(26)24(20(28)29-17)23-18(25)13-7-9-22-10-8-13/h1-11H,(H,23,25)/b17-11+
InChIKey
ZPJKUYSWRAFQQP-GZTJUZNOSA-N
Compound name
N-[(5E)-5-[[5-(4-bromophenyl)furan-2-yl]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

484.95035 Da
Monoisotopic Mass

4.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 485.95763 185.2
[M+Na]+ 507.93957 188.3
[M+NH4]+ 502.98417 188.4
[M+K]+ 523.91351 188.3
[M-H]- 483.94307 190.0
[M+Na-2H]- 505.92502 189.2
[M]+ 484.94980 186.5
[M]- 484.95090 186.5
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.