CID 3066898

80649-55-4

Structural Information

Molecular Formula

C₂₀H₃₀N₂O₂

SMILES

CC(C1=CC=C(C=C1)C2CCCC2)N(C)C(=O)CN3CCOCC3

InChI

InChI=1S/C20H30N2O2/c1-16(21(2)20(23)15-22-11-13-24-14-12-22)17-7-9-19(10-8-17)18-5-3-4-6-18/h7-10,16,18H,3-6,11-15H2,1-2H3

InChIKey

BDYVGEZGQPVVBE-UHFFFAOYSA-N

Compound name

N-[1-(4-cyclopentylphenyl)ethyl]-N-methyl-2-morpholin-4-ylacetamide

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 0
Patents: 330.23074 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]+	331.238016	183.4
[M+Na]+	353.219958	183.3
[M-H]-	329.223464	191.5
[M+NH4]+	348.264563	195.4
[M+K]+	369.193898	182.2
[M+H-H2O]+	313.228000	173.7
[M+HCOO]-	375.228941	198.5
[M+CH3COO]-	389.244591	213.9
[M+Na-2H]-	351.205406	180.3
[M]+	330.23019142	178.4
[M]-	330.23128858	178.4

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.