CID 1524004

N-(4-oxo-5-(2-thienylmethylene)-2-thioxo-1,3-thiazolidin-3-yl)isonicotinamide

Structural Information

Molecular Formula
C14H9N3O2S3
SMILES
C1=CSC(=C1)/C=C/2\C(=O)N(C(=S)S2)NC(=O)C3=CC=NC=C3
InChI
InChI=1S/C14H9N3O2S3/c18-12(9-3-5-15-6-4-9)16-17-13(19)11(22-14(17)20)8-10-2-1-7-21-10/h1-8H,(H,16,18)/b11-8+
InChIKey
MSDKZEQZFTXKHY-DHZHZOJOSA-N
Compound name
N-[(5E)-4-oxo-2-sulfanylidene-5-(thiophen-2-ylmethylidene)-1,3-thiazolidin-3-yl]pyridine-4-carboxamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

346.9857 Da
Monoisotopic Mass

2.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 347.99298 174.0
[M+Na]+ 369.97492 183.2
[M+NH4]+ 365.01952 181.1
[M+K]+ 385.94886 175.4
[M-H]- 345.97842 177.6
[M+Na-2H]- 367.96037 178.3
[M]+ 346.98515 177.4
[M]- 346.98625 177.4
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.