CID 3067934

82439-18-7

Structural Information

Molecular Formula

C₁₅H₁₈N₂

SMILES

CCN1CCC=C(C1)C2=C3C=CNC3=CC=C2

InChI

InChI=1S/C15H18N2/c1-2-17-10-4-5-12(11-17)13-6-3-7-15-14(13)8-9-16-15/h3,5-9,16H,2,4,10-11H2,1H3

InChIKey

OHFSXVFFKNMVRS-UHFFFAOYSA-N

Compound name

4-(1-ethyl-3,6-dihydro-2H-pyridin-5-yl)-1H-indole

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 4
Patents: 226.147 Da
Monoisotopic Mass: 2.6
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]+	227.154276	152.0
[M+Na]+	249.136218	160.1
[M-H]-	225.139724	155.5
[M+NH4]+	244.180823	169.7
[M+K]+	265.110158	154.2
[M+H-H2O]+	209.144260	143.7
[M+HCOO]-	271.145201	171.1
[M+CH3COO]-	285.160851	163.7
[M+Na-2H]-	247.121666	156.9
[M]+	226.14645142	149.5
[M]-	226.14754858	149.5

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe