CID 202380

Hg-1582

Structural Information

Molecular Formula

C₁₉H₃₀N₂O₂

SMILES

CCCCCCOC1=CC=CC=C1C(=O)NCCN2CCCC2

InChI

InChI=1S/C19H30N2O2/c1-2-3-4-9-16-23-18-11-6-5-10-17(18)19(22)20-12-15-21-13-7-8-14-21/h5-6,10-11H,2-4,7-9,12-16H2,1H3,(H,20,22)

InChIKey

FWSRHDNFXUPQOI-UHFFFAOYSA-N

Compound name

2-hexoxy-N-(2-pyrrolidin-1-ylethyl)benzamide

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 0
Patents: 318.23074 Da
Monoisotopic Mass: 4.0
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]+	319.238016	180.7
[M+Na]+	341.219958	182.8
[M-H]-	317.223464	184.3
[M+NH4]+	336.264563	194.7
[M+K]+	357.193898	179.2
[M+H-H2O]+	301.228000	171.4
[M+HCOO]-	363.228941	200.6
[M+CH3COO]-	377.244591	209.6
[M+Na-2H]-	339.205406	180.2
[M]+	318.23019142	181.0
[M]-	318.23128858	181.0

Literature stripe

literature stripe

Patent stripe

No patent data available for this compound.