CID 3048890

64097-18-3

Structural Information

Molecular Formula

C₁₅H₁₄N₂O

SMILES

C1C2=CC=CC=C2C(NC1=O)C3=CC=CC=C3N

InChI

InChI=1S/C15H14N2O/c16-13-8-4-3-7-12(13)15-11-6-2-1-5-10(11)9-14(18)17-15/h1-8,15H,9,16H2,(H,17,18)

InChIKey

MPVPDOAOJQJVCZ-UHFFFAOYSA-N

Compound name

1-(2-aminophenyl)-2,4-dihydro-1H-isoquinolin-3-one

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 1
References: 0
Patents: 238.11061 Da
Monoisotopic Mass: 1.7
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]+	239.11789	154.0
[M+Na]+	261.09983	168.3
[M+NH4]+	256.14443	163.1
[M+K]+	277.07377	160.3
[M-H]-	237.10333	159.1
[M+Na-2H]-	259.08528	162.1
[M]+	238.11006	157.5
[M]-	238.11116	157.5

Literature stripe

literature stripe

Patent stripe

No patent data available for this compound.