CID 3038433

39630-39-2

Structural Information

Molecular Formula

C₁₆H₂₄N₂O₂

SMILES

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

InChI

InChI=1S/C16H24N2O2/c1-10-9-18-5-4-11-6-15(19-2)16(20-3)7-12(11)14(18)8-13(10)17/h6-7,10,13-14H,4-5,8-9,17H2,1-3H3/t10-,13+,14-/m1/s1

InChIKey

KOFFSNPIPMAPHF-DDTOSNHZSA-N

Compound name

(2S,3R,11bR)-9,10-dimethoxy-3-methyl-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: 276.18378 Da
Monoisotopic Mass: 1.8
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]+	277.191056	165.9
[M+Na]+	299.172998	172.5
[M-H]-	275.176504	168.7
[M+NH4]+	294.217603	182.8
[M+K]+	315.146938	168.8
[M+H-H2O]+	259.181040	158.1
[M+HCOO]-	321.181981	181.2
[M+CH3COO]-	335.197631	206.0
[M+Na-2H]-	297.158446	168.5
[M]+	276.18323142	163.6
[M]-	276.18432858	163.6

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.