CID 3068620

83658-22-4

Structural Information

Molecular Formula

C₁₉H₂₂N₂

SMILES

CN(C)CCC1CC2=CC=CC=C2C(=N1)C3=CC=CC=C3

InChI

InChI=1S/C19H22N2/c1-21(2)13-12-17-14-16-10-6-7-11-18(16)19(20-17)15-8-4-3-5-9-15/h3-11,17H,12-14H2,1-2H3

InChIKey

RNTAQRJCOOQWTN-UHFFFAOYSA-N

Compound name

N,N-dimethyl-2-(1-phenyl-3,4-dihydroisoquinolin-3-yl)ethanamine

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 3
Patents: 278.17828 Da
Monoisotopic Mass: 3.7
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]+	279.185556	167.2
[M+Na]+	301.167498	173.1
[M-H]-	277.171004	173.9
[M+NH4]+	296.212103	183.0
[M+K]+	317.141438	168.5
[M+H-H2O]+	261.175540	157.5
[M+HCOO]-	323.176481	188.3
[M+CH3COO]-	337.192131	178.2
[M+Na-2H]-	299.152946	172.9
[M]+	278.17773142	166.9
[M]-	278.17882858	166.9

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe