CID 24845956

Quinoxalin-2(1h)-one, 6-methoxy-3-methyl-1-(octahydro-2h-quinolizin-1-ylmethyl)-, trans-

Structural Information

Molecular Formula

C₂₀H₂₇N₃O₂

SMILES

CC1=NC2=C(C=CC(=C2)OC)N(C1=O)C[C@H]3CCCN4[C@@H]3CCCC4

InChI

InChI=1S/C20H27N3O2/c1-14-20(24)23(19-9-8-16(25-2)12-17(19)21-14)13-15-6-5-11-22-10-4-3-7-18(15)22/h8-9,12,15,18H,3-7,10-11,13H2,1-2H3/t15-,18-/m1/s1

InChIKey

NHPSAOFHOUICIM-CRAIPNDOSA-N

Compound name

1-[[(1R,9aR)-2,3,4,6,7,8,9,9a-octahydro-1H-quinolizin-1-yl]methyl]-6-methoxy-3-methylquinoxalin-2-one

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 0
Patents: 341.21033 Da
Monoisotopic Mass: 2.5
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]+	342.217606	186.0
[M+Na]+	364.199548	191.9
[M-H]-	340.203054	188.8
[M+NH4]+	359.244153	196.9
[M+K]+	380.173488	186.0
[M+H-H2O]+	324.207590	174.1
[M+HCOO]-	386.208531	196.5
[M+CH3COO]-	400.224181	193.7
[M+Na-2H]-	362.184996	187.7
[M]+	341.20978142	182.5
[M]-	341.21087858	182.5

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.