CID 217753

1,2-benzisothiazole-3-carboxamide, n-(3-piperidinopropyl)-, monohydrochloride

Structural Information

Molecular Formula

C₁₆H₂₁N₃OS

SMILES

C1CCN(CC1)CCCNC(=O)C2=NSC3=CC=CC=C32

InChI

InChI=1S/C16H21N3OS/c20-16(15-13-7-2-3-8-14(13)21-18-15)17-9-6-12-19-10-4-1-5-11-19/h2-3,7-8H,1,4-6,9-12H2,(H,17,20)

InChIKey

DCTCDRPLJYIYJZ-UHFFFAOYSA-N

Compound name

N-(3-piperidin-1-ylpropyl)-1,2-benzothiazole-3-carboxamide

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 0
Patents: 303.14053 Da
Monoisotopic Mass: 3.2
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]+	304.147806	168.6
[M+Na]+	326.129748	174.4
[M-H]-	302.133254	172.8
[M+NH4]+	321.174353	183.8
[M+K]+	342.103688	169.4
[M+H-H2O]+	286.137790	160.1
[M+HCOO]-	348.138731	183.1
[M+CH3COO]-	362.154381	178.5
[M+Na-2H]-	324.115196	170.3
[M]+	303.13998142	168.5
[M]-	303.14107858	168.5

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.