CID 5465764

Nsc660814

Structural Information

Molecular Formula

C₁₄H₁₁NO₂

SMILES

CC1=CC2=C(C(=C1)O)C(=O)C3=CC=CC=C3N2

InChI

InChI=1S/C14H11NO2/c1-8-6-11-13(12(16)7-8)14(17)9-4-2-3-5-10(9)15-11/h2-7,16H,1H3,(H,15,17)

InChIKey

BMHHDKWYWYUBBR-UHFFFAOYSA-N

Compound name

1-hydroxy-3-methyl-10H-acridin-9-one

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 2
References: 1
Patents: 225.07898 Da
Monoisotopic Mass: 3.5
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]+	226.08626	146.2
[M+Na]+	248.06820	158.4
[M-H]-	224.07170	149.1
[M+NH4]+	243.11280	164.6
[M+K]+	264.04214	152.2
[M+H-H2O]+	208.07624	139.6
[M+HCOO]-	270.07718	166.4
[M+CH3COO]-	284.09283	159.5
[M+Na-2H]-	246.05365	155.4
[M]+	225.07843	147.5
[M]-	225.07953	147.5

Literature stripe

literature stripe

Patent stripe

patents stripe