CID 3070961

87203-94-9

Structural Information

Molecular Formula

C₁₉H₂₃NO₂

SMILES

CC1C2=CC(=C(C=C2CC(N1)C3=CC=C(C=C3)C)OC)OC

InChI

InChI=1S/C19H23NO2/c1-12-5-7-14(8-6-12)17-9-15-10-18(21-3)19(22-4)11-16(15)13(2)20-17/h5-8,10-11,13,17,20H,9H2,1-4H3

InChIKey

WAHHAZNKVHKYSM-UHFFFAOYSA-N

Compound name

6,7-dimethoxy-1-methyl-3-(4-methylphenyl)-1,2,3,4-tetrahydroisoquinoline

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 1
Patents: 297.17288 Da
Monoisotopic Mass: 3.6
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]+	298.180156	172.2
[M+Na]+	320.162098	180.0
[M-H]-	296.165604	177.1
[M+NH4]+	315.206703	187.0
[M+K]+	336.136038	174.8
[M+H-H2O]+	280.170140	163.6
[M+HCOO]-	342.171081	189.2
[M+CH3COO]-	356.186731	205.4
[M+Na-2H]-	318.147546	174.6
[M]+	297.17233142	172.3
[M]-	297.17342858	172.3

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe