CID 14484592

Castillene a

Structural Information

Molecular Formula
C18H14O4
SMILES
COC1(C(=O)C2=C(O1)C3=C(C=C2)OC=C3)CC4=CC=CC=C4
InChI
InChI=1S/C18H14O4/c1-20-18(11-12-5-3-2-4-6-12)17(19)14-7-8-15-13(9-10-21-15)16(14)22-18/h2-10H,11H2,1H3
InChIKey
ZDPDYRQJYGVUMW-UHFFFAOYSA-N
Compound name
2-benzyl-2-methoxyfuro[2,3-e][1]benzofuran-3-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

294.0892 Da
Monoisotopic Mass

3.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 295.09648 163.6
[M+Na]+ 317.07842 175.3
[M-H]- 293.08192 175.0
[M+NH4]+ 312.12302 184.2
[M+K]+ 333.05236 173.3
[M+H-H2O]+ 277.08646 158.4
[M+HCOO]- 339.08740 186.9
[M+CH3COO]- 353.10305 178.2
[M+Na-2H]- 315.06387 170.2
[M]+ 294.08865 171.0
[M]- 294.08975 171.0
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.