CID 10085389

2-o-methylanigorufone

Structural Information

Molecular Formula

C₂₀H₁₄O₂

SMILES

COC1=CC2=CC=CC3=C2C(=C(C=C3)C4=CC=CC=C4)C1=O

InChI

InChI=1S/C20H14O2/c1-22-17-12-15-9-5-8-14-10-11-16(13-6-3-2-4-7-13)19(18(14)15)20(17)21/h2-12H,1H3

InChIKey

NXRGWQRQXPUQSX-UHFFFAOYSA-N

Compound name

2-methoxy-9-phenylphenalen-1-one

Related CIDs

2D Structure

compound 2d structure

2
Annotation Hits: 9
References: 4
Patents: 286.09937 Da
Monoisotopic Mass: 5.0
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]+	287.10665	165.4
[M+Na]+	309.08859	174.7
[M-H]-	285.09209	173.5
[M+NH4]+	304.13319	183.3
[M+K]+	325.06253	169.1
[M+H-H2O]+	269.09663	156.6
[M+HCOO]-	331.09757	186.2
[M+CH3COO]-	345.11322	177.7
[M+Na-2H]-	307.07404	172.7
[M]+	286.09882	167.7
[M]-	286.09992	167.7

Literature stripe

literature stripe

Patent stripe

patents stripe