CID 197071

Methoxybenzanthrone

Structural Information

Molecular Formula

C₁₈H₁₂O₂

SMILES

COC1=CC2=C3C(=C1)C=CC=C3C(=O)C4=CC=CC=C42

InChI

InChI=1S/C18H12O2/c1-20-12-9-11-5-4-8-15-17(11)16(10-12)13-6-2-3-7-14(13)18(15)19/h2-10H,1H3

InChIKey

LGGANUMQYFIXFL-UHFFFAOYSA-N

Compound name

2-methoxybenzo[b]phenalen-7-one

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 5
References: 2
Patents: 260.08374 Da
Monoisotopic Mass: 4.3
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]+	261.09102	156.1
[M+Na]+	283.07296	173.9
[M+NH4]+	278.11756	167.4
[M+K]+	299.04690	163.8
[M-H]-	259.07646	161.3
[M+Na-2H]-	281.05841	163.8
[M]+	260.08319	160.5
[M]-	260.08429	160.5

Literature stripe

literature stripe

Patent stripe

patents stripe