CID 27936

1-(2-(4-pyridyl)ethyl)indole monohydrochloride

Structural Information

Molecular Formula

C₁₅H₁₄N₂

SMILES

C1=CC=C2C(=C1)C=CN2CCC3=CC=NC=C3

InChI

InChI=1S/C15H14N2/c1-2-4-15-14(3-1)8-12-17(15)11-7-13-5-9-16-10-6-13/h1-6,8-10,12H,7,11H2

InChIKey

DACCZVNTZZMZJP-UHFFFAOYSA-N

Compound name

1-(2-pyridin-4-ylethyl)indole

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 1
References: 13
Patents: 222.11569 Da
Monoisotopic Mass: 2.8
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]+	223.12297	149.5
[M+Na]+	245.10491	166.1
[M+NH4]+	240.14951	159.4
[M+K]+	261.07885	158.3
[M-H]-	221.10841	154.3
[M+Na-2H]-	243.09036	160.3
[M]+	222.11514	153.5
[M]-	222.11624	153.5

Literature stripe

literature stripe

Patent stripe

patents stripe