CID 71435886

20421-12-9

Structural Information

Molecular Formula
C18H16O7
SMILES
COC1CC2C(O1)OC3=CC(=C4C5=C(C(=O)CC5)C(=O)OC4=C23)OC
InChI
InChI=1S/C18H16O7/c1-21-10-6-11-15(8-5-12(22-2)24-18(8)23-11)16-14(10)7-3-4-9(19)13(7)17(20)25-16/h6,8,12,18H,3-5H2,1-2H3
InChIKey
QKCJGDIUSFKBPI-UHFFFAOYSA-N
Compound name
5,11-dimethoxy-6,8,19-trioxapentacyclo[10.7.0.02,9.03,7.013,17]nonadeca-1,9,11,13(17)-tetraene-16,18-dione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

344.0896 Da
Monoisotopic Mass

1.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 345.096876 171.2
[M+Na]+ 367.078818 182.4
[M-H]- 343.082324 181.8
[M+NH4]+ 362.123423 190.5
[M+K]+ 383.052758 182.5
[M+H-H2O]+ 327.086860 170.0
[M+HCOO]- 389.087801 188.1
[M+CH3COO]- 403.103451 184.7
[M+Na-2H]- 365.064266 173.0
[M]+ 344.08905142 180.6
[M]- 344.09014858 180.6
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.