CID 10804574

Musanolone c

Structural Information

Molecular Formula

C₁₉H₁₄O₄

SMILES

C1=CC2=C3C(=C1)C(C(C(=O)C3=C(C=C2)C4=CC=C(C=C4)O)O)O

InChI

InChI=1S/C19H14O4/c20-12-7-4-10(5-8-12)13-9-6-11-2-1-3-14-15(11)16(13)18(22)19(23)17(14)21/h1-9,17,19-21,23H

InChIKey

HQIRTAPJDZWJHS-UHFFFAOYSA-N

Compound name

2,3-dihydroxy-9-(4-hydroxyphenyl)-2,3-dihydrophenalen-1-one

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 0
Patents: 306.0892 Da
Monoisotopic Mass: 2.5
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]+	307.096476	168.6
[M+Na]+	329.078418	177.5
[M-H]-	305.081924	173.3
[M+NH4]+	324.123023	184.0
[M+K]+	345.052358	171.7
[M+H-H2O]+	289.086460	161.2
[M+HCOO]-	351.087401	184.1
[M+CH3COO]-	365.103051	179.3
[M+Na-2H]-	327.063866	173.3
[M]+	306.08865142	167.9
[M]-	306.08974858	167.9

Literature stripe

literature stripe

Patent stripe

No patent data available for this compound.