CID 3069335

Cor 28 11

Structural Information

Molecular Formula

C₂₄H₃₅NO₅

SMILES

CC1=CC(=C(C=C1OC)C(C)C)OCCN(C)CCOC2=C(C=CC=C2OC)OC

InChI

InChI=1S/C24H35NO5/c1-17(2)19-16-22(28-7)18(3)15-23(19)29-13-11-25(4)12-14-30-24-20(26-5)9-8-10-21(24)27-6/h8-10,15-17H,11-14H2,1-7H3

InChIKey

KFEIBQSCFXKVAJ-UHFFFAOYSA-N

Compound name

N-[2-(2,6-dimethoxyphenoxy)ethyl]-2-(4-methoxy-5-methyl-2-propan-2-ylphenoxy)-N-methylethanamine

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 4
Patents: 417.25153 Da
Monoisotopic Mass: 5.0
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]+	418.258806	204.6
[M+Na]+	440.240748	209.6
[M-H]-	416.244254	212.2
[M+NH4]+	435.285353	215.6
[M+K]+	456.214688	208.9
[M+H-H2O]+	400.248790	194.6
[M+HCOO]-	462.249731	226.9
[M+CH3COO]-	476.265381	237.0
[M+Na-2H]-	438.226196	202.3
[M]+	417.25098142	216.1
[M]-	417.25207858	216.1

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe