CID 121300

Acetamide, 2-((4-allyl-6-methoxy-alpha-piperidino-o-tolyl)oxy)-n,n-diethyl-

Structural Information

Molecular Formula

C₂₂H₃₄N₂O₃

SMILES

CCN(CC)C(=O)COC1=C(C=C(C=C1OC)CC=C)CN2CCCCC2

InChI

InChI=1S/C22H34N2O3/c1-5-11-18-14-19(16-23-12-9-8-10-13-23)22(20(15-18)26-4)27-17-21(25)24(6-2)7-3/h5,14-15H,1,6-13,16-17H2,2-4H3

InChIKey

FASJTFMZBZDOAE-UHFFFAOYSA-N

Compound name

N,N-diethyl-2-[2-methoxy-6-(piperidin-1-ylmethyl)-4-prop-2-enylphenoxy]acetamide

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 0
Patents: 374.25696 Da
Monoisotopic Mass: 3.9
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]+	375.264236	195.2
[M+Na]+	397.246178	197.3
[M-H]-	373.249684	199.9
[M+NH4]+	392.290783	205.9
[M+K]+	413.220118	194.5
[M+H-H2O]+	357.254220	185.1
[M+HCOO]-	419.255161	212.6
[M+CH3COO]-	433.270811	226.1
[M+Na-2H]-	395.231626	192.5
[M]+	374.25641142	197.1
[M]-	374.25750858	197.1

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.