CID 16082517

Nonanoyl tryptamine

Structural Information

Molecular Formula

C₁₉H₂₈N₂O

SMILES

CCCCCCCCC(=O)NCCC1=CNC2=CC=CC=C21

InChI

InChI=1S/C19H28N2O/c1-2-3-4-5-6-7-12-19(22)20-14-13-16-15-21-18-11-9-8-10-17(16)18/h8-11,15,21H,2-7,12-14H2,1H3,(H,20,22)

InChIKey

JHKBQGYMCOBVJV-UHFFFAOYSA-N

Compound name

N-[2-(1H-indol-3-yl)ethyl]nonanamide

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 2
References: 11
Patents: 300.22015 Da
Monoisotopic Mass: 5.3
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]+	301.22743	176.4
[M+Na]+	323.20937	186.6
[M+NH4]+	318.25397	183.3
[M+K]+	339.18331	180.1
[M-H]-	299.21287	177.7
[M+Na-2H]-	321.19482	180.4
[M]+	300.21960	178.0
[M]-	300.22070	178.0

Literature stripe

literature stripe

Patent stripe

patents stripe