CID 41599

(4-butoxyphenyl)carbamic acid 2-(1-piperidinyl)ethyl ester hydrochloride

Structural Information

Molecular Formula

C₁₈H₂₈N₂O₃

SMILES

CCCCOC1=CC=C(C=C1)NC(=O)OCCN2CCCCC2

InChI

InChI=1S/C18H28N2O3/c1-2-3-14-22-17-9-7-16(8-10-17)19-18(21)23-15-13-20-11-5-4-6-12-20/h7-10H,2-6,11-15H2,1H3,(H,19,21)

InChIKey

YHEANZDBCMFWGR-UHFFFAOYSA-N

Compound name

2-piperidin-1-ylethyl N-(4-butoxyphenyl)carbamate

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 2
References: 0
Patents: 320.21 Da
Monoisotopic Mass: 3.6
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]+	321.217276	178.8
[M+Na]+	343.199218	180.4
[M-H]-	319.202724	182.0
[M+NH4]+	338.243823	190.7
[M+K]+	359.173158	177.6
[M+H-H2O]+	303.207260	169.0
[M+HCOO]-	365.208201	197.0
[M+CH3COO]-	379.223851	208.6
[M+Na-2H]-	341.184666	180.3
[M]+	320.20945142	177.8
[M]-	320.21054858	177.8

Literature stripe

literature stripe

Patent stripe

No patent data available for this compound.