CID 25056

Pe-3

Structural Information

Molecular Formula

C₁₅H₁₆N₂

SMILES

C1CN(C2=CC=CC=C21)CCC3=CC=NC=C3

InChI

InChI=1S/C15H16N2/c1-2-4-15-14(3-1)8-12-17(15)11-7-13-5-9-16-10-6-13/h1-6,9-10H,7-8,11-12H2

InChIKey

FTGIWLFSDZPQIO-UHFFFAOYSA-N

Compound name

1-(2-pyridin-4-ylethyl)-2,3-dihydroindole

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 6
Patents: 224.13135 Da
Monoisotopic Mass: 3.0
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]+	225.13863	151.1
[M+Na]+	247.12057	158.6
[M-H]-	223.12407	155.5
[M+NH4]+	242.16517	169.1
[M+K]+	263.09451	153.7
[M+H-H2O]+	207.12861	142.1
[M+HCOO]-	269.12955	171.7
[M+CH3COO]-	283.14520	163.1
[M+Na-2H]-	245.10602	157.1
[M]+	224.13080	150.0
[M]-	224.13190	150.0

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe