CID 49840374

N-methoxycarbonyl-n-nornuciferine

Structural Information

Molecular Formula

C₂₀H₂₁NO₄

SMILES

COC1=C(C2=C3C(CC4=CC=CC=C42)N(CCC3=C1)C(=O)OC)OC

InChI

InChI=1S/C20H21NO4/c1-23-16-11-13-8-9-21(20(22)25-3)15-10-12-6-4-5-7-14(12)18(17(13)15)19(16)24-2/h4-7,11,15H,8-10H2,1-3H3

InChIKey

NZPPZYPCWOGFIQ-UHFFFAOYSA-N

Compound name

methyl 1,2-dimethoxy-5,6,6a,7-tetrahydro-4H-dibenzo[de,g]quinoline-6-carboxylate

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 0
Patents: 339.14706 Da
Monoisotopic Mass: 3.3
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]+	340.154336	179.6
[M+Na]+	362.136278	186.8
[M-H]-	338.139784	183.2
[M+NH4]+	357.180883	195.1
[M+K]+	378.110218	183.4
[M+H-H2O]+	322.144320	170.4
[M+HCOO]-	384.145261	193.6
[M+CH3COO]-	398.160911	215.3
[M+Na-2H]-	360.121726	184.0
[M]+	339.14651142	183.3
[M]-	339.14760858	183.3

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.