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 176.6
[M+Na]+ 359.08898 185.5
[M-H]- 335.09248 181.3
[M+NH4]+ 354.13358 190.8
[M+K]+ 375.06292 180.5
[M+H-H2O]+ 319.09702 168.8
[M+HCOO]- 381.09796 191.6
[M+CH3COO]- 395.11361 186.8
[M+Na-2H]- 357.07443 180.1
[M]+ 336.09921 178.0
[M]- 336.10031 178.0
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

No patent data available for this compound.