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

Adduct m/z Predicted CCS (Ų)
[M+H]+ 319.09648 171.8
[M+Na]+ 341.07842 188.9
[M+NH4]+ 336.12302 180.8
[M+K]+ 357.05236 180.4
[M-H]- 317.08192 176.8
[M+Na-2H]- 339.06387 179.0
[M]+ 318.08865 175.9
[M]- 318.08975 175.9
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe