CID 3055656

N-(5-cyclohexylidene-4-oxo-2-thioxo-3-thiazolidinyl)-4-pyridinecarboxamide

Structural Information

Molecular Formula
C15H15N3O2S2
SMILES
C1CCC(=C2C(=O)N(C(=S)S2)NC(=O)C3=CC=NC=C3)CC1
InChI
InChI=1S/C15H15N3O2S2/c19-13(11-6-8-16-9-7-11)17-18-14(20)12(22-15(18)21)10-4-2-1-3-5-10/h6-9H,1-5H2,(H,17,19)
InChIKey
YLPPOUJDRKNVCH-UHFFFAOYSA-N
Compound name
N-(5-cyclohexylidene-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

333.06058 Da
Monoisotopic Mass

3.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 334.06786 172.7
[M+Na]+ 356.04980 181.7
[M+NH4]+ 351.09440 179.7
[M+K]+ 372.02374 173.9
[M-H]- 332.05330 176.4
[M+Na-2H]- 354.03525 177.3
[M]+ 333.06003 175.5
[M]- 333.06113 175.5
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.