CID 3114247

Schembl1247438

Structural Information

Molecular Formula

C₉H₆N₂O₂S

SMILES

C1=CC=NC(=C1)C=C2C(=O)NC(=O)S2

InChI

InChI=1S/C9H6N2O2S/c12-8-7(14-9(13)11-8)5-6-3-1-2-4-10-6/h1-5H,(H,11,12,13)

InChIKey

NYTMYQRFLUTBEL-UHFFFAOYSA-N

Compound name

5-(pyridin-2-ylmethylidene)-1,3-thiazolidine-2,4-dione

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 42
Patents: 206.015 Da
Monoisotopic Mass: 1.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Å²) per adduct calculated using CCSbase.
Adduct	m/z	Predicted CCS (Å²)
[M+H]+	207.02228	144.4
[M+Na]+	229.00422	155.9
[M+NH4]+	224.04882	151.7
[M+K]+	244.97816	149.8
[M-H]-	205.00772	145.6
[M+Na-2H]-	226.98967	149.4
[M]+	206.01445	146.5
[M]-	206.01555	146.5

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe