CID 65704

Fopirtoline

Structural Information

Molecular Formula

C₁₁H₁₅ClN₂OS

SMILES

C1COCCN1CCSC2=NC(=CC=C2)Cl

InChI

InChI=1S/C11H15ClN2OS/c12-10-2-1-3-11(13-10)16-9-6-14-4-7-15-8-5-14/h1-3H,4-9H2

InChIKey

IEZSLVKNOOIGQP-UHFFFAOYSA-N

Compound name

4-[2-[(6-chloro-2-pyridinyl)sulfanyl]ethyl]morpholine

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 832
Patents: 258.05936 Da
Monoisotopic Mass: 2.3
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]+	259.066636	153.9
[M+Na]+	281.048578	160.8
[M-H]-	257.052084	157.6
[M+NH4]+	276.093183	168.0
[M+K]+	297.022518	157.1
[M+H-H2O]+	241.056620	146.1
[M+HCOO]-	303.057561	162.1
[M+CH3COO]-	317.073211	164.7
[M+Na-2H]-	279.034026	156.9
[M]+	258.05881142	155.0
[M]-	258.05990858	155.0

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.