CID 4486828

Schembl1733313

Structural Information

Molecular Formula
C20H20O7
SMILES
COC1=C(C=CC(=C1)OC2C3COC(C3CO2)C4=CC5=C(C=C4)OCO5)O
InChI
InChI=1S/C20H20O7/c1-22-17-7-12(3-4-15(17)21)27-20-14-9-23-19(13(14)8-24-20)11-2-5-16-18(6-11)26-10-25-16/h2-7,13-14,19-21H,8-10H2,1H3
InChIKey
OJVGWDJIYBTWDS-UHFFFAOYSA-N
Compound name
4-[[3-(1,3-benzodioxol-5-yl)-1,3,3a,4,6,6a-hexahydrofuro[3,4-c]furan-6-yl]oxy]-2-methoxyphenol
Related CIDs

2D Structure

compound 2d structure
3
Annotation Hits

0
References

622
Patents

372.1209 Da
Monoisotopic Mass

2.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 373.12818 178.9
[M+Na]+ 395.11012 186.1
[M-H]- 371.11362 192.4
[M+NH4]+ 390.15472 192.2
[M+K]+ 411.08406 187.9
[M+H-H2O]+ 355.11816 176.7
[M+HCOO]- 417.11910 194.6
[M+CH3COO]- 431.13475 190.8
[M+Na-2H]- 393.09557 178.9
[M]+ 372.12035 184.8
[M]- 372.12145 184.8
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

patents stripe