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]+ 355.11763 175.4
[M+Na]+ 377.09957 186.6
[M-H]- 353.10307 188.9
[M+NH4]+ 372.14417 193.5
[M+K]+ 393.07351 187.9
[M+H-H2O]+ 337.10761 173.1
[M+HCOO]- 399.10855 195.0
[M+CH3COO]- 413.12420 189.4
[M+Na-2H]- 375.08502 180.1
[M]+ 354.10980 186.8
[M]- 354.11090 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.