CID 10669

Medrylamine

Structural Information

Molecular Formula

C₁₈H₂₃NO₂

SMILES

CN(C)CCOC(C1=CC=CC=C1)C2=CC=C(C=C2)OC

InChI

InChI=1S/C18H23NO2/c1-19(2)13-14-21-18(15-7-5-4-6-8-15)16-9-11-17(20-3)12-10-16/h4-12,18H,13-14H2,1-3H3

InChIKey

BXCMCXBSUDRYPF-UHFFFAOYSA-N

Compound name

2-[(4-methoxyphenyl)-phenylmethoxy]-N,N-dimethylethanamine

Related CIDs

2D Structure

compound 2d structure

2
Annotation Hits: 1
References: 375
Patents: 285.17288 Da
Monoisotopic Mass: 3.2
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]+	286.180156	169.4
[M+Na]+	308.162098	174.0
[M-H]-	284.165604	176.7
[M+NH4]+	303.206703	185.0
[M+K]+	324.136038	172.1
[M+H-H2O]+	268.170140	160.5
[M+HCOO]-	330.171081	193.3
[M+CH3COO]-	344.186731	208.3
[M+Na-2H]-	306.147546	172.9
[M]+	285.17233142	172.9
[M]-	285.17342858	172.9

Literature stripe

literature stripe

Patent stripe

patents stripe