CID 3064407

Phenethylamine, methylenebis(n,n-dimethyl-6-methoxy-, dihydrochloride

Structural Information

Molecular Formula

C₂₃H₃₄N₂O₂

SMILES

CN(C)CCC1=CC(=C(C=C1)OC)CC2=C(C=CC(=C2)CCN(C)C)OC

InChI

InChI=1S/C23H34N2O2/c1-24(2)13-11-18-7-9-22(26-5)20(15-18)17-21-16-19(12-14-25(3)4)8-10-23(21)27-6/h7-10,15-16H,11-14,17H2,1-6H3

InChIKey

GRWDAWNBWBDGPT-UHFFFAOYSA-N

Compound name

2-[3-[[5-[2-(dimethylamino)ethyl]-2-methoxyphenyl]methyl]-4-methoxyphenyl]-N,N-dimethylethanamine

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 0
Patents: 370.26202 Da
Monoisotopic Mass: 4.4
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]+	371.269296	195.9
[M+Na]+	393.251238	200.6
[M-H]-	369.254744	204.7
[M+NH4]+	388.295843	209.3
[M+K]+	409.225178	198.7
[M+H-H2O]+	353.259280	185.9
[M+HCOO]-	415.260221	220.5
[M+CH3COO]-	429.275871	234.2
[M+Na-2H]-	391.236686	195.3
[M]+	370.26147142	203.5
[M]-	370.26256858	203.5

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.