CID 3051722

2h,6h-(1,3)thiazino(3,2-b)isoquinolin-6-one, 3,4-dihydro-, 1,1-dioxide

Structural Information

Molecular Formula

C₁₂H₁₁NO₃S

SMILES

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

InChI

InChI=1S/C12H11NO3S/c14-12-10-5-2-1-4-9(10)8-11-13(12)6-3-7-17(11,15)16/h1-2,4-5,8H,3,6-7H2

InChIKey

DZCOGWVTGHUYBS-UHFFFAOYSA-N

Compound name

1,1-dioxo-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: 5
Patents: 249.04596 Da
Monoisotopic Mass: 1.1
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]+	250.053236	147.9
[M+Na]+	272.035178	159.1
[M-H]-	248.038684	152.4
[M+NH4]+	267.079783	168.6
[M+K]+	288.009118	154.7
[M+H-H2O]+	232.043220	141.5
[M+HCOO]-	294.044161	163.0
[M+CH3COO]-	308.059811	161.0
[M+Na-2H]-	270.020626	155.7
[M]+	249.04541142	150.3
[M]-	249.04650858	150.3

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe