CID 71438923

Hydroxygaleon

Structural Information

Molecular Formula
C20H22O5
SMILES
COC1=C2C=CC(=C1)CCCCC(=O)CC(C3=CC(=C(C=C3)O)O2)O
InChI
InChI=1S/C20H22O5/c1-24-20-10-13-4-2-3-5-15(21)12-17(23)14-7-8-16(22)19(11-14)25-18(20)9-6-13/h6-11,17,22-23H,2-5,12H2,1H3
InChIKey
LSAKHXDZRQBYTG-UHFFFAOYSA-N
Compound name
4,8-dihydroxy-17-methoxy-2-oxatricyclo[13.2.2.13,7]icosa-1(17),3,5,7(20),15,18-hexaen-10-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

342.14673 Da
Monoisotopic Mass

2.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 343.15401 175.3
[M+Na]+ 365.13595 185.3
[M+NH4]+ 360.18055 182.9
[M+K]+ 381.10989 178.1
[M-H]- 341.13945 171.1
[M+Na-2H]- 363.12140 167.1
[M]+ 342.14618 175.1
[M]- 342.14728 175.1
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.