CID 468117

Chembl1288800

Structural Information

Molecular Formula

C₁₅H₁₃NO₂

SMILES

CN1C2=C(C(=CC=C2)OC)C(=O)C3=CC=CC=C31

InChI

InChI=1S/C15H13NO2/c1-16-11-7-4-3-6-10(11)15(17)14-12(16)8-5-9-13(14)18-2/h3-9H,1-2H3

InChIKey

SCGOHIREVYJYTB-UHFFFAOYSA-N

Compound name

1-methoxy-10-methylacridin-9-one

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 2
References: 1
Patents: 239.09464 Da
Monoisotopic Mass: 3.1
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]+	240.10192	150.3
[M+Na]+	262.08386	162.8
[M-H]-	238.08736	155.7
[M+NH4]+	257.12846	169.5
[M+K]+	278.05780	158.1
[M+H-H2O]+	222.09190	142.7
[M+HCOO]-	284.09284	173.1
[M+CH3COO]-	298.10849	164.4
[M+Na-2H]-	260.06931	159.7
[M]+	239.09409	155.4
[M]-	239.09519	155.4

Literature stripe

literature stripe

Patent stripe

patents stripe