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: 13
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]+	180.084146	135.0
[M+Na]+	202.066088	142.7
[M-H]-	178.069594	137.9
[M+NH4]+	197.110693	155.6
[M+K]+	218.040028	139.4
[M+H-H2O]+	162.074130	128.8
[M+HCOO]-	224.075071	149.9
[M+CH3COO]-	238.090721	147.8
[M+Na-2H]-	200.051536	140.2
[M]+	179.07632142	134.4
[M]-	179.07741858	134.4

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe