CID 10016895

Citrusinine ii

Structural Information

Molecular Formula

C₁₅H₁₃NO₅

SMILES

CN1C2=C(C=CC=C2O)C(=O)C3=C1C(=C(C=C3O)O)OC

InChI

InChI=1S/C15H13NO5/c1-16-12-7(4-3-5-8(12)17)14(20)11-9(18)6-10(19)15(21-2)13(11)16/h3-6,17-19H,1-2H3

InChIKey

QEGXAAUCDUFHPJ-UHFFFAOYSA-N

Compound name

1,3,5-trihydroxy-4-methoxy-10-methylacridin-9-one

Related CIDs

2D Structure

compound 2d structure

2
Annotation Hits: 4
References: 3
Patents: 287.07938 Da
Monoisotopic Mass: 2.6
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]+	288.08666	161.2
[M+Na]+	310.06860	174.3
[M-H]-	286.07210	163.6
[M+NH4]+	305.11320	176.8
[M+K]+	326.04254	169.7
[M+H-H2O]+	270.07664	154.5
[M+HCOO]-	332.07758	179.7
[M+CH3COO]-	346.09323	198.7
[M+Na-2H]-	308.05405	167.3
[M]+	287.07883	166.5
[M]-	287.07993	166.5

Literature stripe

literature stripe

Patent stripe

patents stripe