CID 41619

Carbamic acid, (3-(octyloxy)phenyl)-, 2-(1-piperidinyl)ethyl ester, monohydrochloride

Structural Information

Molecular Formula

C₂₂H₃₆N₂O₃

SMILES

CCCCCCCCOC1=CC=CC(=C1)NC(=O)OCCN2CCCCC2

InChI

InChI=1S/C22H36N2O3/c1-2-3-4-5-6-10-17-26-21-13-11-12-20(19-21)23-22(25)27-18-16-24-14-8-7-9-15-24/h11-13,19H,2-10,14-18H2,1H3,(H,23,25)

InChIKey

QHQKRUADYFAFNP-UHFFFAOYSA-N

Compound name

2-piperidin-1-ylethyl N-(3-octoxyphenyl)carbamate

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 1
References: 0
Patents: 376.27258 Da
Monoisotopic Mass: 5.8
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]+	377.279856	196.2
[M+Na]+	399.261798	196.0
[M-H]-	375.265304	198.6
[M+NH4]+	394.306403	205.8
[M+K]+	415.235738	192.3
[M+H-H2O]+	359.269840	185.6
[M+HCOO]-	421.270781	213.0
[M+CH3COO]-	435.286431	220.4
[M+Na-2H]-	397.247246	195.7
[M]+	376.27203142	196.7
[M]-	376.27312858	196.7

Literature stripe

literature stripe

Patent stripe

No patent data available for this compound.