CID 5465790

Nsc662135

Structural Information

Molecular Formula

C₁₄H₁₁NO₃

SMILES

CC1=C2C(=CC=C1)NC3=C(C2=O)C(=CC(=C3)O)O

InChI

InChI=1S/C14H11NO3/c1-7-3-2-4-9-12(7)14(18)13-10(15-9)5-8(16)6-11(13)17/h2-6,16-17H,1H3,(H,15,18)

InChIKey

JCBDAFIHZKTUHH-UHFFFAOYSA-N

Compound name

1,3-dihydroxy-8-methyl-10H-acridin-9-one

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 3
References: 0
Patents: 241.0739 Da
Monoisotopic Mass: 3.2
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]+	242.081176	150.1
[M+Na]+	264.063118	162.5
[M-H]-	240.066624	152.0
[M+NH4]+	259.107723	167.3
[M+K]+	280.037058	156.3
[M+H-H2O]+	224.071160	143.8
[M+HCOO]-	286.072101	168.9
[M+CH3COO]-	300.087751	162.8
[M+Na-2H]-	262.048566	158.1
[M]+	241.07335142	151.4
[M]-	241.07444858	151.4

Literature stripe

literature stripe

Patent stripe

No patent data available for this compound.