CID 1576604

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

Structural Information

Molecular Formula
C16H10ClN3O2S2
SMILES
C1=CC(=CC=C1/C=C/2\C(=O)N(C(=S)S2)NC(=O)C3=CC=NC=C3)Cl
InChI
InChI=1S/C16H10ClN3O2S2/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
XRBNTOTWUMZHDY-UKTHLTGXSA-N
Compound name
N-[(5E)-5-[(4-chlorophenyl)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

374.9903 Da
Monoisotopic Mass

3.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 375.997576 183.6
[M+Na]+ 397.979518 193.4
[M-H]- 373.983024 191.2
[M+NH4]+ 393.024123 196.3
[M+K]+ 413.953458 184.6
[M+H-H2O]+ 357.987560 176.7
[M+HCOO]- 419.988501 190.4
[M+CH3COO]- 434.004151 193.4
[M+Na-2H]- 395.964966 180.7
[M]+ 374.98975142 185.5
[M]- 374.99084858 185.5
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.