CID 2386892

67213-74-5

Structural Information

Molecular Formula

C₁₅H₁₂N₂O₂

SMILES

C1C2=CC=CC=C2C(=O)N(C1=O)CC3=CC=CC=N3

InChI

InChI=1S/C15H12N2O2/c18-14-9-11-5-1-2-7-13(11)15(19)17(14)10-12-6-3-4-8-16-12/h1-8H,9-10H2

InChIKey

NODLVRDDVBGXOY-UHFFFAOYSA-N

Compound name

2-(pyridin-2-ylmethyl)-4H-isoquinoline-1,3-dione

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 2
References: 0
Patents: 252.08987 Da
Monoisotopic Mass: 1.3
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]+	253.09715	156.7
[M+Na]+	275.07909	172.5
[M+NH4]+	270.12369	165.1
[M+K]+	291.05303	164.3
[M-H]-	251.08259	160.7
[M+Na-2H]-	273.06454	165.2
[M]+	252.08932	160.1
[M]-	252.09042	160.1

Literature stripe

literature stripe

Patent stripe

No patent data available for this compound.