CID 71598010

Zanthocapensol

Structural Information

Molecular Formula
C19H16O5
SMILES
COC1=CC(=CC2=C1OC(=C2)C3=CC4=C(C=C3)OCO4)/C=C/CO
InChI
InChI=1S/C19H16O5/c1-21-18-8-12(3-2-6-20)7-14-10-16(24-19(14)18)13-4-5-15-17(9-13)23-11-22-15/h2-5,7-10,20H,6,11H2,1H3/b3-2+
InChIKey
XPHPZNXKORILIF-NSCUHMNNSA-N
Compound name
(E)-3-[2-(1,3-benzodioxol-5-yl)-7-methoxy-1-benzofuran-5-yl]prop-2-en-1-ol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

324.09976 Da
Monoisotopic Mass

3.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 325.10704 172.3
[M+Na]+ 347.08898 182.8
[M-H]- 323.09248 182.8
[M+NH4]+ 342.13358 187.9
[M+K]+ 363.06292 181.4
[M+H-H2O]+ 307.09702 167.6
[M+HCOO]- 369.09796 192.9
[M+CH3COO]- 383.11361 185.5
[M+Na-2H]- 345.07443 176.9
[M]+ 324.09921 180.3
[M]- 324.10031 180.3
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.