CID 216074

Brn 1549182

Structural Information

Molecular Formula

C₂₀H₂₃NO₂

SMILES

CCCN1CCC2=CC(=C(C3=C2[C@H]1CC4=CC=CC=C43)O)OC

InChI

InChI=1S/C20H23NO2/c1-3-9-21-10-8-14-12-17(23-2)20(22)19-15-7-5-4-6-13(15)11-16(21)18(14)19/h4-7,12,16,22H,3,8-11H2,1-2H3/t16-/m1/s1

InChIKey

BWVBEWNADVIPHA-MRXNPFEDSA-N

Compound name

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

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 1
Patents: 309.17288 Da
Monoisotopic Mass: 4.0
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]+	310.180156	174.8
[M+Na]+	332.162098	182.0
[M-H]-	308.165604	177.0
[M+NH4]+	327.206703	191.1
[M+K]+	348.136038	176.3
[M+H-H2O]+	292.170140	166.0
[M+HCOO]-	354.171081	187.8
[M+CH3COO]-	368.186731	184.4
[M+Na-2H]-	330.147546	179.6
[M]+	309.17233142	175.4
[M]-	309.17342858	175.4

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe