CID 14559597

11-methoxy-6,8,19-trioxapentacyclo[10.7.0.02,9.03,7.013,17]nonadeca-1,9,11-triene-16,18-dione

Structural Information

Molecular Formula
C17H16O6
SMILES
COC1=C2C3CCC(=O)C3C(=O)OC2=C4C5CCOC5OC4=C1
InChI
InChI=1S/C17H16O6/c1-20-10-6-11-14(8-4-5-21-17(8)22-11)15-13(10)7-2-3-9(18)12(7)16(19)23-15/h6-8,12,17H,2-5H2,1H3
InChIKey
PFQXVIDDRHBAAU-UHFFFAOYSA-N
Compound name
11-methoxy-6,8,19-trioxapentacyclo[10.7.0.02,9.03,7.013,17]nonadeca-1,9,11-triene-16,18-dione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

316.0947 Da
Monoisotopic Mass

1.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 317.101976 165.7
[M+Na]+ 339.083918 174.9
[M-H]- 315.087424 175.2
[M+NH4]+ 334.128523 185.7
[M+K]+ 355.057858 174.5
[M+H-H2O]+ 299.091960 164.5
[M+HCOO]- 361.092901 180.0
[M+CH3COO]- 375.108551 178.5
[M+Na-2H]- 337.069366 166.5
[M]+ 316.09415142 170.1
[M]- 316.09524858 170.1
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.