CID 14484594

Castillene c

Structural Information

Molecular Formula
C20H18O6
SMILES
COC1C2=C(C3=C(C=C2)OC=C3)OC1(CC4=CC5=C(C=C4)OCO5)OC
InChI
InChI=1S/C20H18O6/c1-21-19-14-4-6-15-13(7-8-23-15)18(14)26-20(19,22-2)10-12-3-5-16-17(9-12)25-11-24-16/h3-9,19H,10-11H2,1-2H3
InChIKey
UJWUVLDBYXPHQN-UHFFFAOYSA-N
Compound name
2-(1,3-benzodioxol-5-ylmethyl)-2,3-dimethoxy-3H-furo[2,3-e][1]benzofuran
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

354.11035 Da
Monoisotopic Mass

3.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 355.117626 175.4
[M+Na]+ 377.099568 186.6
[M-H]- 353.103074 188.9
[M+NH4]+ 372.144173 193.5
[M+K]+ 393.073508 187.9
[M+H-H2O]+ 337.107610 173.1
[M+HCOO]- 399.108551 195.0
[M+CH3COO]- 413.124201 189.4
[M+Na-2H]- 375.085016 180.1
[M]+ 354.10980142 186.8
[M]- 354.11089858 186.8
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.