CID 48698

10-chloroaporphine hydrochloride

Structural Information

Molecular Formula

C₁₇H₁₆ClN

SMILES

CN1CCC2=C3[C@@H]1CC4=C(C3=CC=C2)C=C(C=C4)Cl

InChI

InChI=1S/C17H16ClN/c1-19-8-7-11-3-2-4-14-15-10-13(18)6-5-12(15)9-16(19)17(11)14/h2-6,10,16H,7-9H2,1H3/t16-/m0/s1

InChIKey

DFYATLXZKUPSLH-INIZCTEOSA-N

Compound name

(6aS)-10-chloro-6-methyl-5,6,6a,7-tetrahydro-4H-dibenzo[de,g]quinoline

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 0
Patents: 269.09714 Da
Monoisotopic Mass: 3.6
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]+	270.104416	160.5
[M+Na]+	292.086358	169.8
[M-H]-	268.089864	164.0
[M+NH4]+	287.130963	180.0
[M+K]+	308.060298	162.6
[M+H-H2O]+	252.094400	152.6
[M+HCOO]-	314.095341	171.3
[M+CH3COO]-	328.110991	171.7
[M+Na-2H]-	290.071806	167.3
[M]+	269.09659142	160.8
[M]-	269.09768858	160.8

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.