CID 630068

Lmpk12070083

Structural Information

Molecular Formula
C18H16O6
SMILES
COC1=C(C2=C(C=C1)C3C(CO2)C4=CC5=C(C=C4O3)OCO5)OC
InChI
InChI=1S/C18H16O6/c1-19-12-4-3-9-16-11(7-21-17(9)18(12)20-2)10-5-14-15(23-8-22-14)6-13(10)24-16/h3-6,11,16H,7-8H2,1-2H3
InChIKey
FNOOADLKGGWRGC-UHFFFAOYSA-N
Compound name
16,17-dimethoxy-5,7,11,19-tetraoxapentacyclo[10.8.0.02,10.04,8.013,18]icosa-2,4(8),9,13(18),14,16-hexaene
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

328.0947 Da
Monoisotopic Mass

2.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 329.101976 168.4
[M+Na]+ 351.083918 178.4
[M-H]- 327.087424 178.7
[M+NH4]+ 346.128523 184.9
[M+K]+ 367.057858 179.7
[M+H-H2O]+ 311.091960 164.7
[M+HCOO]- 373.092901 183.2
[M+CH3COO]- 387.108551 181.4
[M+Na-2H]- 349.069366 173.8
[M]+ 328.09415142 176.6
[M]- 328.09524858 176.6
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

No patent data available for this compound.