CID 180424

Castillene d

Structural Information

Molecular Formula
C19H14O6
SMILES
COC1(C(=O)C2=C(O1)C3=C(C=C2)OC=C3)CC4=CC5=C(C=C4)OCO5
InChI
InChI=1S/C19H14O6/c1-21-19(9-11-2-4-15-16(8-11)24-10-23-15)18(20)13-3-5-14-12(6-7-22-14)17(13)25-19/h2-8H,9-10H2,1H3
InChIKey
HNGNYODKSMNHQW-UHFFFAOYSA-N
Compound name
2-(1,3-benzodioxol-5-ylmethyl)-2-methoxyfuro[2,3-e][1]benzofuran-3-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

338.07904 Da
Monoisotopic Mass

3.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 339.08632 170.0
[M+Na]+ 361.06826 182.0
[M-H]- 337.07176 183.7
[M+NH4]+ 356.11286 188.7
[M+K]+ 377.04220 182.8
[M+H-H2O]+ 321.07630 167.9
[M+HCOO]- 383.07724 190.1
[M+CH3COO]- 397.09289 184.5
[M+Na-2H]- 359.05371 175.2
[M]+ 338.07849 180.4
[M]- 338.07959 180.4
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.