CID 13428496

2h-1,4-benzothiazine, 3,4-dihydro-4-ethyl-, hydrochloride

Structural Information

Molecular Formula

C₁₀H₁₃NS

SMILES

CCN1CCSC2=CC=CC=C21

InChI

InChI=1S/C10H13NS/c1-2-11-7-8-12-10-6-4-3-5-9(10)11/h3-6H,2,7-8H2,1H3

InChIKey

IKRNOCBBGFXXBR-UHFFFAOYSA-N

Compound name

4-ethyl-2,3-dihydro-1,4-benzothiazine

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 12
Patents: 179.07687 Da
Monoisotopic Mass: 2.7
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]+	180.08415	136.0
[M+Na]+	202.06609	149.7
[M+NH4]+	197.11069	146.9
[M+K]+	218.04003	139.6
[M-H]-	178.06959	139.7
[M+Na-2H]-	200.05154	142.9
[M]+	179.07632	139.6
[M]-	179.07742	139.6

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe