CID 217000

37989-04-1

Structural Information

Molecular Formula

C₁₄H₁₁N₃

SMILES

C1=CC=C2C(=C1)C=C(N=C2N)C3=CC=CC=N3

InChI

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

InChIKey

SZYOCGSGLNKIQO-UHFFFAOYSA-N

Compound name

3-pyridin-2-ylisoquinolin-1-amine

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 3
References: 7
Patents: 221.09529 Da
Monoisotopic Mass: 2.4
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

patents stripe