CID 3067555

2h-1,3-benzothiazine-2,4(3h)-dione, 3-(2-(dimethylamino)ethyl)-, hydrochloride

Structural Information

Molecular Formula

C₁₂H₁₄N₂O₂S

SMILES

CN(C)CCN1C(=O)C2=CC=CC=C2SC1=O

InChI

InChI=1S/C12H14N2O2S/c1-13(2)7-8-14-11(15)9-5-3-4-6-10(9)17-12(14)16/h3-6H,7-8H2,1-2H3

InChIKey

CTBLINXWVGUSOF-UHFFFAOYSA-N

Compound name

3-[2-(dimethylamino)ethyl]-1,3-benzothiazine-2,4-dione

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 0
Patents: 250.0776 Da
Monoisotopic Mass: 1.8
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]+	251.084876	151.3
[M+Na]+	273.066818	161.4
[M-H]-	249.070324	156.6
[M+NH4]+	268.111423	169.7
[M+K]+	289.040758	158.1
[M+H-H2O]+	233.074860	144.2
[M+HCOO]-	295.075801	170.5
[M+CH3COO]-	309.091451	198.4
[M+Na-2H]-	271.052266	156.0
[M]+	250.07705142	157.0
[M]-	250.07814858	157.0

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.