CID 201768

Tolpronine hydrochloride

Structural Information

Molecular Formula

C₁₅H₂₁NO₂

SMILES

CC1=CC=CC=C1OCC(CN2CCC=CC2)O

InChI

InChI=1S/C15H21NO2/c1-13-7-3-4-8-15(13)18-12-14(17)11-16-9-5-2-6-10-16/h2-5,7-8,14,17H,6,9-12H2,1H3

InChIKey

SHAMZCLZESSQBD-UHFFFAOYSA-N

Compound name

1-(3,6-dihydro-2H-pyridin-1-yl)-3-(2-methylphenoxy)propan-2-ol

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 430
Patents: 247.15723 Da
Monoisotopic Mass: 2.8
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]+	248.16451	159.3
[M+Na]+	270.14645	171.6
[M+NH4]+	265.19105	167.3
[M+K]+	286.12039	164.5
[M-H]-	246.14995	162.5
[M+Na-2H]-	268.13190	166.4
[M]+	247.15668	161.9
[M]-	247.15778	161.9

Literature stripe

literature stripe

Patent stripe

patents stripe