CID 3068359

83363-39-7

Structural Information

Molecular Formula

C₁₆H₁₈N₂

SMILES

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

InChI

InChI=1S/C16H18N2/c1-2-10-18-11-4-5-13(12-18)14-6-3-7-16-15(14)8-9-17-16/h2-3,5-9,17H,1,4,10-12H2

InChIKey

HMNMNVKKGHIFLH-UHFFFAOYSA-N

Compound name

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

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 2
Patents: 238.147 Da
Monoisotopic Mass: 2.9
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]+	239.154276	155.7
[M+Na]+	261.136218	163.6
[M-H]-	237.139724	159.0
[M+NH4]+	256.180823	172.8
[M+K]+	277.110158	156.9
[M+H-H2O]+	221.144260	147.2
[M+HCOO]-	283.145201	174.7
[M+CH3COO]-	297.160851	167.0
[M+Na-2H]-	259.121666	160.0
[M]+	238.14645142	152.8
[M]-	238.14754858	152.8

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe