CID 96918

Atherosperminine

Structural Information

Molecular Formula

C₂₀H₂₃NO₂

SMILES

CN(C)CCC1=CC(=C(C2=C1C=CC3=CC=CC=C32)OC)OC

InChI

InChI=1S/C20H23NO2/c1-21(2)12-11-15-13-18(22-3)20(23-4)19-16-8-6-5-7-14(16)9-10-17(15)19/h5-10,13H,11-12H2,1-4H3

InChIKey

UZZFAUDNCIFFPM-UHFFFAOYSA-N

Compound name

2-(3,4-dimethoxyphenanthren-1-yl)-N,N-dimethylethanamine

Related CIDs

2D Structure

compound 2d structure

2
Annotation Hits: 6
References: 4
Patents: 309.17288 Da
Monoisotopic Mass: 4.7
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]+	310.18016	173.9
[M+Na]+	332.16210	182.9
[M-H]-	308.16560	181.0
[M+NH4]+	327.20670	191.7
[M+K]+	348.13604	179.3
[M+H-H2O]+	292.17014	165.5
[M+HCOO]-	354.17108	197.4
[M+CH3COO]-	368.18673	216.2
[M+Na-2H]-	330.14755	180.1
[M]+	309.17233	181.2
[M]-	309.17343	181.2

Literature stripe

literature stripe

Patent stripe

patents stripe