CID 199675

4734-13-8

Structural Information

Molecular Formula

C₂₀H₂₄N₂OS

SMILES

CCN(CC)CCN1C2=CC=CC=C2SC(C1=O)C3=CC=CC=C3

InChI

InChI=1S/C20H24N2OS/c1-3-21(4-2)14-15-22-17-12-8-9-13-18(17)24-19(20(22)23)16-10-6-5-7-11-16/h5-13,19H,3-4,14-15H2,1-2H3

InChIKey

ZBXRJHUFJPEIQC-UHFFFAOYSA-N

Compound name

4-[2-(diethylamino)ethyl]-2-phenyl-1,4-benzothiazin-3-one

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 2
Patents: 340.16095 Da
Monoisotopic Mass: 4.1
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]+	341.168226	180.3
[M+Na]+	363.150168	186.0
[M-H]-	339.153674	186.7
[M+NH4]+	358.194773	194.2
[M+K]+	379.124108	180.7
[M+H-H2O]+	323.158210	170.9
[M+HCOO]-	385.159151	195.0
[M+CH3COO]-	399.174801	217.3
[M+Na-2H]-	361.135616	181.6
[M]+	340.16040142	182.4
[M]-	340.16149858	182.4

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe