CID 10381323

2,3-dihydro-2,3-dihydroxy-4-(4-methoxyphenyl)-1h-phenalen-1-one

Structural Information

Molecular Formula
C20H16O4
SMILES
COC1=CC=C(C=C1)C2=C3C(C(C(=O)C4=CC=CC(=C43)C=C2)O)O
InChI
InChI=1S/C20H16O4/c1-24-13-8-5-11(6-9-13)14-10-7-12-3-2-4-15-16(12)17(14)19(22)20(23)18(15)21/h2-10,19-20,22-23H,1H3
InChIKey
GMMBTTCHJJMJKQ-UHFFFAOYSA-N
Compound name
2,3-dihydroxy-4-(4-methoxyphenyl)-2,3-dihydrophenalen-1-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

320.10486 Da
Monoisotopic Mass

2.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 321.11214 173.1
[M+Na]+ 343.09408 181.9
[M-H]- 319.09758 178.9
[M+NH4]+ 338.13868 188.6
[M+K]+ 359.06802 176.7
[M+H-H2O]+ 303.10212 165.1
[M+HCOO]- 365.10306 189.7
[M+CH3COO]- 379.11871 184.0
[M+Na-2H]- 341.07953 177.6
[M]+ 320.10431 174.4
[M]- 320.10541 174.4
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.