CID 22021

Brn 0233872

Structural Information

Molecular Formula

C₁₈H₂₂N₂

SMILES

C1CCN(CC1)C2=C3CCCCC3=NC4=CC=CC=C42

InChI

InChI=1S/C18H22N2/c1-6-12-20(13-7-1)18-14-8-2-4-10-16(14)19-17-11-5-3-9-15(17)18/h2,4,8,10H,1,3,5-7,9,11-13H2

InChIKey

PHKKNMUDCVZREA-UHFFFAOYSA-N

Compound name

9-piperidin-1-yl-1,2,3,4-tetrahydroacridine

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 1
References: 0
Patents: 266.17828 Da
Monoisotopic Mass: 4.4
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]+	267.185556	163.6
[M+Na]+	289.167498	167.7
[M-H]-	265.171004	167.1
[M+NH4]+	284.212103	178.3
[M+K]+	305.141438	161.7
[M+H-H2O]+	249.175540	152.7
[M+HCOO]-	311.176481	175.9
[M+CH3COO]-	325.192131	172.4
[M+Na-2H]-	287.152946	168.7
[M]+	266.17773142	155.6
[M]-	266.17882858	155.6

Literature stripe

literature stripe

Patent stripe

No patent data available for this compound.