CID 16077301

Chembl214130

Structural Information

Molecular Formula

C₂₃H₂₃NO₂

SMILES

COC1=C(C=CC(=C1)CC=C)OC2=C3CCCCC3=NC4=CC=CC=C42

InChI

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

InChIKey

RJTFZGXBLPTVFD-UHFFFAOYSA-N

Compound name

9-(2-methoxy-4-prop-2-enylphenoxy)-1,2,3,4-tetrahydroacridine

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 1
References: 0
Patents: 345.17288 Da
Monoisotopic Mass: 6.0
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	184.6
[M+Na]+	368.162098	191.4
[M-H]-	344.165604	190.7
[M+NH4]+	363.206703	198.1
[M+K]+	384.136038	184.9
[M+H-H2O]+	328.170140	174.0
[M+HCOO]-	390.171081	201.4
[M+CH3COO]-	404.186731	194.1
[M+Na-2H]-	366.147546	188.8
[M]+	345.17233142	185.0
[M]-	345.17342858	185.0

Literature stripe

literature stripe

Patent stripe

No patent data available for this compound.