CID 215614

N-propargylnornuciferine

Structural Information

Molecular Formula

C₂₁H₂₁NO₂

SMILES

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

InChI

InChI=1S/C21H21NO2/c1-4-10-22-11-9-15-13-18(23-2)21(24-3)20-16-8-6-5-7-14(16)12-17(22)19(15)20/h1,5-8,13,17H,9-12H2,2-3H3/t17-/m1/s1

InChIKey

BLPDRJXCUPQBHU-QGZVFWFLSA-N

Compound name

(6aR)-1,2-dimethoxy-6-prop-2-ynyl-5,6,6a,7-tetrahydro-4H-dibenzo[de,g]quinoline

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 0
Patents: 319.15723 Da
Monoisotopic Mass: 3.5
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]+	320.164506	177.5
[M+Na]+	342.146448	188.4
[M-H]-	318.149954	178.9
[M+NH4]+	337.191053	192.0
[M+K]+	358.120388	177.8
[M+H-H2O]+	302.154490	163.2
[M+HCOO]-	364.155431	186.9
[M+CH3COO]-	378.171081	185.8
[M+Na-2H]-	340.131896	180.8
[M]+	319.15668142	173.7
[M]-	319.15777858	173.7

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.