CID 3024616

96719-51-6

Structural Information

Molecular Formula

C₂₃H₂₃NO₂

SMILES

COC1=CC2=C(C=C1)C(N(CC2)C3=CC=CC=C3)C4=CC=CC=C4OC

InChI

InChI=1S/C23H23NO2/c1-25-19-12-13-20-17(16-19)14-15-24(18-8-4-3-5-9-18)23(20)21-10-6-7-11-22(21)26-2/h3-13,16,23H,14-15H2,1-2H3

InChIKey

GZKGIHUTMXMHBE-UHFFFAOYSA-N

Compound name

6-methoxy-1-(2-methoxyphenyl)-2-phenyl-3,4-dihydro-1H-isoquinoline

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 0
Patents: 345.17288 Da
Monoisotopic Mass: 5.2
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]+	346.180156	185.0
[M+Na]+	368.162098	191.5
[M-H]-	344.165604	193.5
[M+NH4]+	363.206703	197.2
[M+K]+	384.136038	185.7
[M+H-H2O]+	328.170140	173.7
[M+HCOO]-	390.171081	203.1
[M+CH3COO]-	404.186731	194.8
[M+Na-2H]-	366.147546	188.5
[M]+	345.17233142	184.7
[M]-	345.17342858	184.7

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.