CID 1397774

68710-98-5

Structural Information

Molecular Formula
C16H10ClN3O2S2
SMILES
C1=CC=C(C(=C1)/C=C\2/C(=O)N(C(=S)S2)NC(=O)C3=CC=NC=C3)Cl
InChI
InChI=1S/C16H10ClN3O2S2/c17-12-4-2-1-3-11(12)9-13-15(22)20(16(23)24-13)19-14(21)10-5-7-18-8-6-10/h1-9H,(H,19,21)/b13-9-
InChIKey
AVFLOVMDYULDKZ-LCYFTJDESA-N
Compound name
N-[(5Z)-5-[(2-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]+ 375.99758 182.2
[M+Na]+ 397.97952 194.9
[M+NH4]+ 393.02412 189.5
[M+K]+ 413.95346 185.4
[M-H]- 373.98302 186.6
[M+Na-2H]- 395.96497 188.7
[M]+ 374.98975 186.3
[M]- 374.99085 186.3
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.