CID 57335022

Zanthocapensate

Structural Information

Molecular Formula
C20H16O6
SMILES
COC1=CC(=CC2=C1OC(=C2)C3=CC4=C(C=C3)OCO4)/C=C/C(=O)OC
InChI
InChI=1S/C20H16O6/c1-22-18-8-12(3-6-19(21)23-2)7-14-10-16(26-20(14)18)13-4-5-15-17(9-13)25-11-24-15/h3-10H,11H2,1-2H3/b6-3+
InChIKey
YHQSAPYIPYYEMD-ZZXKWVIFSA-N
Compound name
methyl (E)-3-[2-(1,3-benzodioxol-5-yl)-7-methoxy-1-benzofuran-5-yl]prop-2-enoate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

352.0947 Da
Monoisotopic Mass

4.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 353.10198 179.7
[M+Na]+ 375.08392 189.9
[M-H]- 351.08742 191.5
[M+NH4]+ 370.12852 194.6
[M+K]+ 391.05786 189.8
[M+H-H2O]+ 335.09196 174.7
[M+HCOO]- 397.09290 200.7
[M+CH3COO]- 411.10855 192.9
[M+Na-2H]- 373.06937 183.1
[M]+ 352.09415 189.8
[M]- 352.09525 189.8
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

No patent data available for this compound.