CID 14649185

Ns00116661

Structural Information

Molecular Formula

C₁₀H₁₂N₂O₂S

SMILES

CC1C(=O)N(C(S1=O)C2=CN=CC=C2)C

InChI

InChI=1S/C10H12N2O2S/c1-7-9(13)12(2)10(15(7)14)8-4-3-5-11-6-8/h3-7,10H,1-2H3

InChIKey

XDJNJKFGIISUQK-UHFFFAOYSA-N

Compound name

3,5-dimethyl-1-oxo-2-pyridin-3-yl-1,3-thiazolidin-4-one

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 0
Patents: 224.06195 Da
Monoisotopic Mass: -0.2
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]+	225.06923	146.7
[M+Na]+	247.05117	157.6
[M-H]-	223.05467	152.0
[M+NH4]+	242.09577	165.4
[M+K]+	263.02511	154.1
[M+H-H2O]+	207.05921	140.1
[M+HCOO]-	269.06015	163.5
[M+CH3COO]-	283.07580	186.8
[M+Na-2H]-	245.03662	146.3
[M]+	224.06140	148.9
[M]-	224.06250	148.9

Literature stripe

literature stripe

Patent stripe

No patent data available for this compound.