CID 206305

49558-40-9

Structural Information

Molecular Formula

C₂₀H₂₈N₂O

SMILES

COC1=CC=CC2=C1N(C3=C2CCCC3)CCN4CCCCC4

InChI

InChI=1S/C20H28N2O/c1-23-19-11-7-9-17-16-8-3-4-10-18(16)22(20(17)19)15-14-21-12-5-2-6-13-21/h7,9,11H,2-6,8,10,12-15H2,1H3

InChIKey

NAFQEWAQEMXPAO-UHFFFAOYSA-N

Compound name

8-methoxy-9-(2-piperidin-1-ylethyl)-1,2,3,4-tetrahydrocarbazole

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 1
Patents: 312.22015 Da
Monoisotopic Mass: 4.0
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]+	313.227426	177.2
[M+Na]+	335.209368	182.3
[M-H]-	311.212874	181.4
[M+NH4]+	330.253973	192.6
[M+K]+	351.183308	176.5
[M+H-H2O]+	295.217410	167.1
[M+HCOO]-	357.218351	191.4
[M+CH3COO]-	371.234001	186.2
[M+Na-2H]-	333.194816	178.4
[M]+	312.21960142	174.1
[M]-	312.22069858	174.1

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe