CID 216075

Brn 1551155

Structural Information

Molecular Formula

C₂₁H₂₃NO₂

SMILES

COC1=C(C2=C3[C@@H](CC4=CC=CC=C42)N(CCC3=C1)CC5CC5)O

InChI

InChI=1S/C21H23NO2/c1-24-18-11-15-8-9-22(12-13-6-7-13)17-10-14-4-2-3-5-16(14)20(19(15)17)21(18)23/h2-5,11,13,17,23H,6-10,12H2,1H3/t17-/m1/s1

InChIKey

AHNVXIFOULNIOP-QGZVFWFLSA-N

Compound name

(6aR)-6-(cyclopropylmethyl)-2-methoxy-5,6,6a,7-tetrahydro-4H-dibenzo[de,g]quinolin-1-ol

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 0
Patents: 321.17288 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]+	322.180156	178.2
[M+Na]+	344.162098	186.8
[M-H]-	320.165604	183.6
[M+NH4]+	339.206703	189.0
[M+K]+	360.136038	180.0
[M+H-H2O]+	304.170140	169.0
[M+HCOO]-	366.171081	191.2
[M+CH3COO]-	380.186731	187.2
[M+Na-2H]-	342.147546	182.3
[M]+	321.17233142	179.9
[M]-	321.17342858	179.9

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.