CID 16728781

Chembl397742

Structural Information

Molecular Formula

C₁₁H₁₄N₂OS

SMILES

CC1N(C(=O)CS1)C2=CC(=CC(=N2)C)C

InChI

InChI=1S/C11H14N2OS/c1-7-4-8(2)12-10(5-7)13-9(3)15-6-11(13)14/h4-5,9H,6H2,1-3H3

InChIKey

LAVYEQLHKOQYNC-UHFFFAOYSA-N

Compound name

3-(4,6-dimethylpyridin-2-yl)-2-methyl-1,3-thiazolidin-4-one

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 1
References: 0
Patents: 222.08269 Da
Monoisotopic Mass: 2.3
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]+	223.08997	148.1
[M+Na]+	245.07191	158.5
[M-H]-	221.07541	153.2
[M+NH4]+	240.11651	167.0
[M+K]+	261.04585	154.8
[M+H-H2O]+	205.07995	141.3
[M+HCOO]-	267.08089	164.2
[M+CH3COO]-	281.09654	188.5
[M+Na-2H]-	243.05736	147.1
[M]+	222.08214	149.9
[M]-	222.08324	149.9

Literature stripe

literature stripe

Patent stripe

No patent data available for this compound.