CID 10830657

Musanolone d

Structural Information

Molecular Formula
C20H16O5
SMILES
COC1=C(C=CC(=C1)C2=C3C(=O)C(C(C4=CC=CC(=C43)C=C2)O)O)O
InChI
InChI=1S/C20H16O5/c1-25-15-9-11(6-8-14(15)21)12-7-5-10-3-2-4-13-16(10)17(12)19(23)20(24)18(13)22/h2-9,18,20-22,24H,1H3
InChIKey
IXESIDXHOPLUCB-UHFFFAOYSA-N
Compound name
2,3-dihydroxy-9-(4-hydroxy-3-methoxyphenyl)-2,3-dihydrophenalen-1-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

336.09976 Da
Monoisotopic Mass

2.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 337.10704 176.1
[M+Na]+ 359.08898 191.5
[M+NH4]+ 354.13358 184.1
[M+K]+ 375.06292 184.4
[M-H]- 335.09248 179.9
[M+Na-2H]- 357.07443 181.2
[M]+ 336.09921 179.5
[M]- 336.10031 179.5
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.