CID 3061482

79306-66-4

Structural Information

Molecular Formula

C₁₉H₂₅NO₂

SMILES

CC(CN(C)C)COC1=CC=CC=C1OCC2=CC=CC=C2

InChI

InChI=1S/C19H25NO2/c1-16(13-20(2)3)14-21-18-11-7-8-12-19(18)22-15-17-9-5-4-6-10-17/h4-12,16H,13-15H2,1-3H3

InChIKey

TYDCMHGEGCXHMK-UHFFFAOYSA-N

Compound name

N,N,2-trimethyl-3-(2-phenylmethoxyphenoxy)propan-1-amine

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 0
Patents: 299.18854 Da
Monoisotopic Mass: 4.2
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]+	300.195816	174.1
[M+Na]+	322.177758	178.2
[M-H]-	298.181264	181.2
[M+NH4]+	317.222363	189.1
[M+K]+	338.151698	176.1
[M+H-H2O]+	282.185800	165.0
[M+HCOO]-	344.186741	197.6
[M+CH3COO]-	358.202391	211.3
[M+Na-2H]-	320.163206	177.0
[M]+	299.18799142	178.0
[M]-	299.18908858	178.0

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe