CID 101487212

Acridone-n-carbaldehyde

Structural Information

Molecular Formula

C₁₄H₉NO₂

SMILES

C1=CC=C2C(=C1)C(=O)C3=CC=CC=C3N2C=O

InChI

InChI=1S/C14H9NO2/c16-9-15-12-7-3-1-5-10(12)14(17)11-6-2-4-8-13(11)15/h1-9H

InChIKey

KJPGUFUKNDOMQV-UHFFFAOYSA-N

Compound name

9-oxoacridine-10-carbaldehyde

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 0
Patents: 223.06332 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]+	224.070596	144.2
[M+Na]+	246.052538	156.5
[M-H]-	222.056044	149.4
[M+NH4]+	241.097143	163.6
[M+K]+	262.026478	151.4
[M+H-H2O]+	206.060580	136.6
[M+HCOO]-	268.061521	167.6
[M+CH3COO]-	282.077171	158.4
[M+Na-2H]-	244.037986	154.9
[M]+	223.06277142	147.8
[M]-	223.06386858	147.8

Literature stripe

literature stripe

Patent stripe

No patent data available for this compound.