CID 743721

132681-00-6

Structural Information

Molecular Formula

C₂₀H₂₃NO₂

SMILES

CC1(CC2=CC(=C(C=C2C(=N1)CC3=CC=CC=C3)OC)OC)C

InChI

InChI=1S/C20H23NO2/c1-20(2)13-15-11-18(22-3)19(23-4)12-16(15)17(21-20)10-14-8-6-5-7-9-14/h5-9,11-12H,10,13H2,1-4H3

InChIKey

HRSZGKQLHQQWIK-UHFFFAOYSA-N

Compound name

1-benzyl-6,7-dimethoxy-3,3-dimethyl-4H-isoquinoline

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 1
References: 0
Patents: 309.17288 Da
Monoisotopic Mass: 3.8
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]+	310.180156	175.1
[M+Na]+	332.162098	184.0
[M-H]-	308.165604	181.6
[M+NH4]+	327.206703	191.9
[M+K]+	348.136038	179.6
[M+H-H2O]+	292.170140	166.0
[M+HCOO]-	354.171081	194.8
[M+CH3COO]-	368.186731	208.7
[M+Na-2H]-	330.147546	180.2
[M]+	309.17233142	178.6
[M]-	309.17342858	178.6

Literature stripe

literature stripe

Patent stripe

No patent data available for this compound.