CID 5317190

Erosone

Structural Information

Molecular Formula
C20H16O6
SMILES
COC1=C(C=C2C(=C1)C3C(CO2)OC4=C(C3=O)C=C5C=COC5=C4)OC
InChI
InChI=1S/C20H16O6/c1-22-16-6-11-14(8-17(16)23-2)25-9-18-19(11)20(21)12-5-10-3-4-24-13(10)7-15(12)26-18/h3-8,18-19H,9H2,1-2H3
InChIKey
QDVCTVPRLKNDMC-UHFFFAOYSA-N
Compound name
16,17-dimethoxy-2,6,20-trioxapentacyclo[11.8.0.03,11.05,9.014,19]henicosa-3(11),4,7,9,14,16,18-heptaen-12-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

6
Patents

352.0947 Da
Monoisotopic Mass

3.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 353.10198 175.9
[M+Na]+ 375.08392 186.8
[M-H]- 351.08742 185.8
[M+NH4]+ 370.12852 191.0
[M+K]+ 391.05786 186.6
[M+H-H2O]+ 335.09196 168.9
[M+HCOO]- 397.09290 191.5
[M+CH3COO]- 411.10855 188.3
[M+Na-2H]- 373.06937 182.8
[M]+ 352.09415 184.2
[M]- 352.09525 184.2
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