CID 198498

66142-87-8

Structural Information

Molecular Formula

C₂₂H₂₆N₂O

SMILES

CCC(=O)N(C1CCN2CCC3=CC=CC=C3C2C1)C4=CC=CC=C4

InChI

InChI=1S/C22H26N2O/c1-2-22(25)24(18-9-4-3-5-10-18)19-13-15-23-14-12-17-8-6-7-11-20(17)21(23)16-19/h3-11,19,21H,2,12-16H2,1H3

InChIKey

INISVGFBGYOYGS-UHFFFAOYSA-N

Compound name

N-(2,3,4,6,7,11b-hexahydro-1H-benzo[a]quinolizin-2-yl)-N-phenylpropanamide

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 1
References: 0
Patents: 334.2045 Da
Monoisotopic Mass: 3.9
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]+	335.211776	180.4
[M+Na]+	357.193718	182.8
[M-H]-	333.197224	186.4
[M+NH4]+	352.238323	193.9
[M+K]+	373.167658	178.0
[M+H-H2O]+	317.201760	169.6
[M+HCOO]-	379.202701	195.0
[M+CH3COO]-	393.218351	188.6
[M+Na-2H]-	355.179166	183.3
[M]+	334.20395142	175.3
[M]-	334.20504858	175.3

Literature stripe

literature stripe

Patent stripe

No patent data available for this compound.