CID 3033141

N-propargylnorapomorphine hydrochloride

Structural Information

Molecular Formula

C₁₉H₁₇NO₂

SMILES

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

InChI

InChI=1S/C19H17NO2/c1-2-9-20-10-8-12-4-3-5-14-17(12)15(20)11-13-6-7-16(21)19(22)18(13)14/h1,3-7,15,21-22H,8-11H2/t15-/m1/s1

InChIKey

LQKHDDWDHXQNDR-OAHLLOKOSA-N

Compound name

(6aR)-6-prop-2-ynyl-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: 291.12592 Da
Monoisotopic Mass: 2.4
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]+	292.133196	171.9
[M+Na]+	314.115138	183.0
[M-H]-	290.118644	171.3
[M+NH4]+	309.159743	186.3
[M+K]+	330.089078	171.6
[M+H-H2O]+	274.123180	158.9
[M+HCOO]-	336.124121	179.3
[M+CH3COO]-	350.139771	179.8
[M+Na-2H]-	312.100586	175.4
[M]+	291.12537142	164.6
[M]-	291.12646858	164.6

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.