CID 38631

M-(pentyloxy)carbanilic acid 1-methyl-2-piperidinoethyl ester monohydrochloride

Structural Information

Molecular Formula

C₂₀H₃₂N₂O₃

SMILES

CCCCCOC1=CC=CC(=C1)NC(=O)OC(C)CN2CCCCC2

InChI

InChI=1S/C20H32N2O3/c1-3-4-8-14-24-19-11-9-10-18(15-19)21-20(23)25-17(2)16-22-12-6-5-7-13-22/h9-11,15,17H,3-8,12-14,16H2,1-2H3,(H,21,23)

InChIKey

ZBFAMHIABKYTQP-UHFFFAOYSA-N

Compound name

1-piperidin-1-ylpropan-2-yl N-(3-pentoxyphenyl)carbamate

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 1
References: 0
Patents: 348.2413 Da
Monoisotopic Mass: 4.6
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]+	349.248576	188.0
[M+Na]+	371.230518	188.5
[M-H]-	347.234024	191.0
[M+NH4]+	366.275123	198.7
[M+K]+	387.204458	185.8
[M+H-H2O]+	331.238560	178.0
[M+HCOO]-	393.239501	204.5
[M+CH3COO]-	407.255151	215.4
[M+Na-2H]-	369.215966	187.3
[M]+	348.24075142	187.2
[M]-	348.24184858	187.2

Literature stripe

literature stripe

Patent stripe

No patent data available for this compound.