CID 10734307

Musanolone f

Structural Information

Molecular Formula

C₂₀H₁₄O₄

SMILES

COC1=C(C=CC(=C1)C2=C3C4=C(C=CC=C4C=C(C3=O)O)C=C2)O

InChI

InChI=1S/C20H14O4/c1-24-17-10-12(6-8-15(17)21)14-7-5-11-3-2-4-13-9-16(22)20(23)19(14)18(11)13/h2-10,21-22H,1H3

InChIKey

GMSAUUARBZSDEJ-UHFFFAOYSA-N

Compound name

2-hydroxy-9-(4-hydroxy-3-methoxyphenyl)phenalen-1-one

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 2
Patents: 318.0892 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]+	319.09648	172.5
[M+Na]+	341.07842	182.2
[M-H]-	317.08192	178.6
[M+NH4]+	336.12302	188.0
[M+K]+	357.05236	176.8
[M+H-H2O]+	301.08646	164.3
[M+HCOO]-	363.08740	190.4
[M+CH3COO]-	377.10305	183.8
[M+Na-2H]-	339.06387	177.8
[M]+	318.08865	175.1
[M]-	318.08975	175.1

Literature stripe

literature stripe

Patent stripe

patents stripe