CID 14484593

Castillene b

Structural Information

Molecular Formula
C19H18O4
SMILES
COC1C2=C(C3=C(C=C2)OC=C3)OC1(CC4=CC=CC=C4)OC
InChI
InChI=1S/C19H18O4/c1-20-18-15-8-9-16-14(10-11-22-16)17(15)23-19(18,21-2)12-13-6-4-3-5-7-13/h3-11,18H,12H2,1-2H3
InChIKey
SROUQLDEOKTEER-UHFFFAOYSA-N
Compound name
2-benzyl-2,3-dimethoxy-3H-furo[2,3-e][1]benzofuran
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

310.1205 Da
Monoisotopic Mass

3.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 311.12778 169.3
[M+Na]+ 333.10972 180.1
[M-H]- 309.11322 180.4
[M+NH4]+ 328.15432 189.3
[M+K]+ 349.08366 178.5
[M+H-H2O]+ 293.11776 163.7
[M+HCOO]- 355.11870 192.0
[M+CH3COO]- 369.13435 183.3
[M+Na-2H]- 331.09517 175.3
[M]+ 310.11995 177.7
[M]- 310.12105 177.7
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.