CID 5387718

1,4-dihydroxy-9(10h)-acridinone

Structural Information

Molecular Formula

C₁₃H₉NO₃

SMILES

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

InChI

InChI=1S/C13H9NO3/c15-9-5-6-10(16)12-11(9)13(17)7-3-1-2-4-8(7)14-12/h1-6,15-16H,(H,14,17)

InChIKey

JELGJYKLOMUUTO-UHFFFAOYSA-N

Compound name

1,4-dihydroxy-10H-acridin-9-one

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 1
References: 0
Patents: 227.05824 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]+	228.06552	145.0
[M+Na]+	250.04746	157.0
[M-H]-	226.05096	146.7
[M+NH4]+	245.09206	162.5
[M+K]+	266.02140	150.9
[M+H-H2O]+	210.05550	138.7
[M+HCOO]-	272.05644	164.2
[M+CH3COO]-	286.07209	157.8
[M+Na-2H]-	248.03291	154.4
[M]+	227.05769	145.6
[M]-	227.05879	145.6

Literature stripe

literature stripe

Patent stripe

No patent data available for this compound.