CID 463843

108361-85-9

Structural Information

Molecular Formula

C₁₆H₁₄N₂O₄S

SMILES

CC1=CC(=NC2=C1C(=O)N(S2(=O)=O)CC(=O)C3=CC=CC=C3)C

InChI

InChI=1S/C16H14N2O4S/c1-10-8-11(2)17-15-14(10)16(20)18(23(15,21)22)9-13(19)12-6-4-3-5-7-12/h3-8H,9H2,1-2H3

InChIKey

MVJRNFYKVCYUEI-UHFFFAOYSA-N

Compound name

4,6-dimethyl-1,1-dioxo-2-phenacyl-[1,2]thiazolo[5,4-b]pyridin-3-one

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 1
References: 0
Patents: 330.0674 Da
Monoisotopic Mass: 2.0
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]+	331.074676	171.7
[M+Na]+	353.056618	183.7
[M-H]-	329.060124	178.1
[M+NH4]+	348.101223	188.7
[M+K]+	369.030558	178.9
[M+H-H2O]+	313.064660	164.9
[M+HCOO]-	375.065601	187.4
[M+CH3COO]-	389.081251	206.5
[M+Na-2H]-	351.042066	172.8
[M]+	330.06685142	177.9
[M]-	330.06794858	177.9

Literature stripe

literature stripe

Patent stripe

No patent data available for this compound.