CID 149292

1-aminoacridone

Structural Information

Molecular Formula

C₁₃H₁₀N₂O

SMILES

C1=CC=C2C(=C1)C(=O)C3=C(C=CC=C3N2)N

InChI

InChI=1S/C13H10N2O/c14-9-5-3-7-11-12(9)13(16)8-4-1-2-6-10(8)15-11/h1-7H,14H2,(H,15,16)

InChIKey

WBMPYOXBHLVYMK-UHFFFAOYSA-N

Compound name

1-amino-10H-acridin-9-one

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 1
References: 120
Patents: 210.07932 Da
Monoisotopic Mass: 2.8
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]+	211.086596	141.8
[M+Na]+	233.068538	153.3
[M-H]-	209.072044	145.3
[M+NH4]+	228.113143	160.7
[M+K]+	249.042478	147.1
[M+H-H2O]+	193.076580	134.9
[M+HCOO]-	255.077521	164.2
[M+CH3COO]-	269.093171	155.2
[M+Na-2H]-	231.053986	152.3
[M]+	210.07877142	141.1
[M]-	210.07986858	141.1

Literature stripe

literature stripe

Patent stripe

patents stripe