CID 15559043

20086-06-0

Structural Information

Molecular Formula
C19H20O6
SMILES
CC12CC(OC13CC(C4C2CC5CC4C(=O)O5)OC3=O)C6=COC=C6
InChI
InChI=1S/C19H20O6/c1-18-6-13(9-2-3-22-8-9)25-19(18)7-14(24-17(19)21)15-11-4-10(5-12(15)18)23-16(11)20/h2-3,8,10-15H,4-7H2,1H3
InChIKey
QEANLIISUSNNDX-UHFFFAOYSA-N
Compound name
3-(furan-3-yl)-5-methyl-2,9,14-trioxapentacyclo[11.2.1.18,11.01,5.06,12]heptadecane-10,15-dione
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

40
References

35
Patents

344.12598 Da
Monoisotopic Mass

1.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 345.13326 171.9
[M+Na]+ 367.11520 179.7
[M+NH4]+ 362.15980 183.4
[M+K]+ 383.08914 180.1
[M-H]- 343.11870 177.7
[M+Na-2H]- 365.10065 169.0
[M]+ 344.12543 174.8
[M]- 344.12653 174.8
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe