CID 3051721

3,4-dihydro-2h,6h-(1,3)thiazolo(3,2-b)isoquinolin-6-one 1-oxide

Structural Information

Molecular Formula

C₁₂H₁₁NO₂S

SMILES

C1CN2C(=CC3=CC=CC=C3C2=O)S(=O)C1

InChI

InChI=1S/C12H11NO2S/c14-12-10-5-2-1-4-9(10)8-11-13(12)6-3-7-16(11)15/h1-2,4-5,8H,3,6-7H2

InChIKey

PNKGEPLUNGUQCB-UHFFFAOYSA-N

Compound name

1-oxo-3,4-dihydro-2H-[1,3]thiazino[3,2-b]isoquinolin-6-one

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 6
Patents: 233.05106 Da
Monoisotopic Mass: 0.9
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]+	234.058336	144.5
[M+Na]+	256.040278	154.7
[M-H]-	232.043784	148.8
[M+NH4]+	251.084883	164.0
[M+K]+	272.014218	150.1
[M+H-H2O]+	216.048320	137.9
[M+HCOO]-	278.049261	159.3
[M+CH3COO]-	292.064911	157.4
[M+Na-2H]-	254.025726	150.9
[M]+	233.05051142	145.7
[M]-	233.05160858	145.7

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe