CID 28829

17901-74-5

Structural Information

Molecular Formula

C₂₀H₂₈N₂

SMILES

C1CCC2=C(CC1)N(C3=CC=CC=C23)CCN4CCCCC4

InChI

InChI=1S/C20H28N2/c1-3-9-17-18-10-5-6-12-20(18)22(19(17)11-4-1)16-15-21-13-7-2-8-14-21/h5-6,10,12H,1-4,7-9,11,13-16H2

InChIKey

VXNCGZASURMYOI-UHFFFAOYSA-N

Compound name

5-(2-piperidin-1-ylethyl)-7,8,9,10-tetrahydro-6H-cyclohepta[b]indole

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 0
Patents: 296.22525 Da
Monoisotopic Mass: 4.6
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]+	297.232526	172.9
[M+Na]+	319.214468	176.7
[M-H]-	295.217974	178.2
[M+NH4]+	314.259073	187.9
[M+K]+	335.188408	173.3
[M+H-H2O]+	279.222510	163.8
[M+HCOO]-	341.223451	186.9
[M+CH3COO]-	355.239101	181.6
[M+Na-2H]-	317.199916	174.4
[M]+	296.22470142	165.4
[M]-	296.22579858	165.4

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.