CID 71438923

61576-09-8

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 190.6
[M+Na]+ 365.13595 191.4
[M-H]- 341.13945 175.4
[M+NH4]+ 360.18055 203.3
[M+K]+ 381.10989 192.0
[M+H-H2O]+ 325.14399 191.0
[M+HCOO]- 387.14493 190.1
[M+CH3COO]- 401.16058 193.3
[M+Na-2H]- 363.12140 198.9
[M]+ 342.14618 192.8
[M]- 342.14728 192.8
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.