CID 3033276

N-(cyclopropylmethyl)norapomorphine hydrochloride

Structural Information

Molecular Formula

C₂₀H₂₁NO₂

SMILES

C1CC1CN2CCC3=C4[C@H]2CC5=C(C4=CC=C3)C(=C(C=C5)O)O

InChI

InChI=1S/C20H21NO2/c22-17-7-6-14-10-16-18-13(8-9-21(16)11-12-4-5-12)2-1-3-15(18)19(14)20(17)23/h1-3,6-7,12,16,22-23H,4-5,8-11H2/t16-/m1/s1

InChIKey

OXQZCFBTWSWVNN-MRXNPFEDSA-N

Compound name

(6aR)-6-(cyclopropylmethyl)-5,6,6a,7-tetrahydro-4H-dibenzo[de,g]quinoline-10,11-diol

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 0
Patents: 307.15723 Da
Monoisotopic Mass: 3.0
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]+	308.164506	172.2
[M+Na]+	330.146448	181.0
[M-H]-	306.149954	176.6
[M+NH4]+	325.191053	183.0
[M+K]+	346.120388	173.6
[M+H-H2O]+	290.154490	163.8
[M+HCOO]-	352.155431	184.2
[M+CH3COO]-	366.171081	181.2
[M+Na-2H]-	328.131896	176.7
[M]+	307.15668142	172.1
[M]-	307.15777858	172.1

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.