CID 3032727

N-ethylnorapomorphine hydrochloride

Structural Information

Molecular Formula

C₁₈H₁₉NO₂

SMILES

CCN1CCC2=C3[C@H]1CC4=C(C3=CC=C2)C(=C(C=C4)O)O

InChI

InChI=1S/C18H19NO2/c1-2-19-9-8-11-4-3-5-13-16(11)14(19)10-12-6-7-15(20)18(21)17(12)13/h3-7,14,20-21H,2,8-10H2,1H3/t14-/m1/s1

InChIKey

YPNFSVPDCPRGIG-CQSZACIVSA-N

Compound name

(6aR)-6-ethyl-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: 1
Patents: 281.14157 Da
Monoisotopic Mass: 2.7
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]+	282.148846	165.6
[M+Na]+	304.130788	173.4
[M-H]-	280.134294	166.9
[M+NH4]+	299.175393	182.4
[M+K]+	320.104728	167.2
[M+H-H2O]+	264.138830	157.7
[M+HCOO]-	326.139771	177.9
[M+CH3COO]-	340.155421	175.5
[M+Na-2H]-	302.116236	171.1
[M]+	281.14102142	163.9
[M]-	281.14211858	163.9

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe