CID 217812

39630-40-5

Structural Information

Molecular Formula

C₁₉H₃₀N₂O₂

SMILES

CC(C)C[C@H]1CN2CCC3=CC(=C(C=C3[C@@H]2C[C@H]1N)OC)OC

InChI

InChI=1S/C19H30N2O2/c1-12(2)7-14-11-21-6-5-13-8-18(22-3)19(23-4)9-15(13)17(21)10-16(14)20/h8-9,12,14,16-17H,5-7,10-11,20H2,1-4H3/t14-,16+,17-/m0/s1

InChIKey

HTTGVFNTQCNCHU-UAGQMJEPSA-N

Compound name

(2R,3S,11bS)-9,10-dimethoxy-3-(2-methylpropyl)-2,3,4,6,7,11b-hexahydro-1H-benzo[a]quinolizin-2-amine

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 0
Patents: 318.23074 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]+	319.238016	179.7
[M+Na]+	341.219958	184.6
[M-H]-	317.223464	182.0
[M+NH4]+	336.264563	194.7
[M+K]+	357.193898	180.9
[M+H-H2O]+	301.228000	171.5
[M+HCOO]-	363.228941	192.9
[M+CH3COO]-	377.244591	215.9
[M+Na-2H]-	339.205406	179.5
[M]+	318.23019142	177.7
[M]-	318.23128858	177.7

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.