CID 1397778

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

Structural Information

Molecular Formula
C16H10BrN3O2S2
SMILES
C1=CC(=CC=C1/C=C\2/C(=O)N(C(=S)S2)NC(=O)C3=CC=NC=C3)Br
InChI
InChI=1S/C16H10BrN3O2S2/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
SEBJBTBUHVAQCG-LCYFTJDESA-N
Compound name
N-[(5Z)-5-[(4-bromophenyl)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

418.9398 Da
Monoisotopic Mass

3.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 419.94708 169.8
[M+Na]+ 441.92902 182.5
[M-H]- 417.93252 179.8
[M+NH4]+ 436.97362 184.3
[M+K]+ 457.90296 167.2
[M+H-H2O]+ 401.93706 169.3
[M+HCOO]- 463.93800 180.0
[M+CH3COO]- 477.95365 182.3
[M+Na-2H]- 439.91447 170.7
[M]+ 418.93925 188.5
[M]- 418.94035 188.5
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.