CID 42607629

Helilandin a

Structural Information

Molecular Formula
C18H16O5
SMILES
COC1=C(C(=C2C(=C1)OCO2)OC)C(=O)/C=C/C3=CC=CC=C3
InChI
InChI=1S/C18H16O5/c1-20-14-10-15-17(23-11-22-15)18(21-2)16(14)13(19)9-8-12-6-4-3-5-7-12/h3-10H,11H2,1-2H3/b9-8+
InChIKey
DHXRBYXDMHSYAN-CMDGGOBGSA-N
Compound name
(E)-1-(4,6-dimethoxy-1,3-benzodioxol-5-yl)-3-phenylprop-2-en-1-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

312.09976 Da
Monoisotopic Mass

3.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 313.10704 170.7
[M+Na]+ 335.08898 178.8
[M-H]- 311.09248 179.9
[M+NH4]+ 330.13358 185.4
[M+K]+ 351.06292 177.9
[M+H-H2O]+ 295.09702 163.8
[M+HCOO]- 357.09796 191.4
[M+CH3COO]- 371.11361 204.7
[M+Na-2H]- 333.07443 174.4
[M]+ 312.09921 176.8
[M]- 312.10031 176.8
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.