CID 204663

1-(4-pyridyl)-beta-carboline

Structural Information

Molecular Formula

C₁₆H₁₁N₃

SMILES

C1=CC=C2C(=C1)C3=C(N2)C(=NC=C3)C4=CC=NC=C4

InChI

InChI=1S/C16H11N3/c1-2-4-14-12(3-1)13-7-10-18-15(16(13)19-14)11-5-8-17-9-6-11/h1-10,19H

InChIKey

CYOMIHJWUVGIJN-UHFFFAOYSA-N

Compound name

1-pyridin-4-yl-9H-pyrido[3,4-b]indole

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 1
References: 0
Patents: 245.09529 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]+	246.102566	154.0
[M+Na]+	268.084508	165.0
[M-H]-	244.088014	157.9
[M+NH4]+	263.129113	170.3
[M+K]+	284.058448	157.4
[M+H-H2O]+	228.092550	144.5
[M+HCOO]-	290.093491	173.9
[M+CH3COO]-	304.109141	166.1
[M+Na-2H]-	266.069956	163.0
[M]+	245.09474142	153.9
[M]-	245.09583858	153.9

Literature stripe

literature stripe

Patent stripe

No patent data available for this compound.