CID 70882

Moxaverine

Structural Information

Molecular Formula

C₂₀H₂₁NO₂

SMILES

CCC1=NC(=C2C=C(C(=CC2=C1)OC)OC)CC3=CC=CC=C3

InChI

InChI=1S/C20H21NO2/c1-4-16-11-15-12-19(22-2)20(23-3)13-17(15)18(21-16)10-14-8-6-5-7-9-14/h5-9,11-13H,4,10H2,1-3H3

InChIKey

MYCMTMIGRXJNSO-UHFFFAOYSA-N

Compound name

1-benzyl-3-ethyl-6,7-dimethoxyisoquinoline

Related CIDs

2D Structure

compound 2d structure

4
Annotation Hits: 23
References: 1230
Patents: 307.15723 Da
Monoisotopic Mass: 4.8
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]+	308.164506	174.4
[M+Na]+	330.146448	183.2
[M-H]-	306.149954	180.8
[M+NH4]+	325.191053	189.2
[M+K]+	346.120388	178.3
[M+H-H2O]+	290.154490	164.9
[M+HCOO]-	352.155431	195.4
[M+CH3COO]-	366.171081	208.9
[M+Na-2H]-	328.131896	179.3
[M]+	307.15668142	178.9
[M]-	307.15777858	178.9

Literature stripe

literature stripe

Patent stripe

patents stripe