CID 217001

37989-05-2

Structural Information

Molecular Formula

C₁₄H₁₁N₃

SMILES

C1=CC=C2C(=C1)C=C(N=C2N)C3=CC=NC=C3

InChI

InChI=1S/C14H11N3/c15-14-12-4-2-1-3-11(12)9-13(17-14)10-5-7-16-8-6-10/h1-9H,(H2,15,17)

InChIKey

AMCCFAMDPQHLQK-UHFFFAOYSA-N

Compound name

3-pyridin-4-ylisoquinolin-1-amine

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 0
Patents: 221.09529 Da
Monoisotopic Mass: 2.3
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]+	222.10257	148.7
[M+Na]+	244.08451	165.5
[M+NH4]+	239.12911	158.4
[M+K]+	260.05845	156.6
[M-H]-	220.08801	154.5
[M+Na-2H]-	242.06996	159.8
[M]+	221.09474	152.9
[M]-	221.09584	152.9

Literature stripe

literature stripe

Patent stripe

No patent data available for this compound.