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

Adduct m/z Predicted CCS (Ų)
[M+H]+ 307.09648 168.6
[M+Na]+ 329.07842 177.5
[M-H]- 305.08192 173.3
[M+NH4]+ 324.12302 184.0
[M+K]+ 345.05236 171.7
[M+H-H2O]+ 289.08646 161.2
[M+HCOO]- 351.08740 184.1
[M+CH3COO]- 365.10305 179.3
[M+Na-2H]- 327.06387 173.3
[M]+ 306.08865 167.9
[M]- 306.08975 167.9
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

No patent data available for this compound.