CID 10468408

Pummeline

Structural Information

Molecular Formula

C₁₅H₁₃NO₄

SMILES

CN1C2=C(C=CC(=C2)O)C(=O)C3=C1C=C(C=C3O)OC

InChI

InChI=1S/C15H13NO4/c1-16-11-5-8(17)3-4-10(11)15(19)14-12(16)6-9(20-2)7-13(14)18/h3-7,17-18H,1-2H3

InChIKey

ULFQWNWPHHCZAJ-UHFFFAOYSA-N

Compound name

1,6-dihydroxy-3-methoxy-10-methylacridin-9-one

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 1
Patents: 271.08447 Da
Monoisotopic Mass: 2.9
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]+	272.091746	157.6
[M+Na]+	294.073688	170.6
[M-H]-	270.077194	161.0
[M+NH4]+	289.118293	174.5
[M+K]+	310.047628	165.9
[M+H-H2O]+	254.081730	150.6
[M+HCOO]-	316.082671	177.6
[M+CH3COO]-	330.098321	197.2
[M+Na-2H]-	292.059136	164.9
[M]+	271.08392142	162.9
[M]-	271.08501858	162.9

Literature stripe

literature stripe

Patent stripe

patents stripe