CID 40280

Dtxsid80878229

Structural Information

Molecular Formula

C₁₇H₂₆N₂O₃

SMILES

CCCOC1=CC=CC(=C1)NC(=O)OCCN2CCCCC2

InChI

InChI=1S/C17H26N2O3/c1-2-12-21-16-8-6-7-15(14-16)18-17(20)22-13-11-19-9-4-3-5-10-19/h6-8,14H,2-5,9-13H2,1H3,(H,18,20)

InChIKey

IZUPPOLZHKCELV-UHFFFAOYSA-N

Compound name

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

Related CIDs

2D Structure

compound 2d structure

2
Annotation Hits: 1
References: 0
Patents: 306.19434 Da
Monoisotopic Mass: 3.3
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]+	307.201616	174.3
[M+Na]+	329.183558	176.4
[M-H]-	305.187064	177.8
[M+NH4]+	324.228163	186.9
[M+K]+	345.157498	173.8
[M+H-H2O]+	289.191600	164.7
[M+HCOO]-	351.192541	192.9
[M+CH3COO]-	365.208191	205.6
[M+Na-2H]-	327.169006	176.4
[M]+	306.19379142	173.1
[M]-	306.19488858	173.1

Literature stripe

literature stripe

Patent stripe

No patent data available for this compound.