CID 10851748

Heliannone b

Structural Information

Molecular Formula
C17H16O5
SMILES
COC1=C(C2=C(C=C1)C(=O)CC(O2)C3=CC=C(C=C3)O)OC
InChI
InChI=1S/C17H16O5/c1-20-14-8-7-12-13(19)9-15(22-16(12)17(14)21-2)10-3-5-11(18)6-4-10/h3-8,15,18H,9H2,1-2H3
InChIKey
JICUYFPHCQPXNY-UHFFFAOYSA-N
Compound name
2-(4-hydroxyphenyl)-7,8-dimethoxy-2,3-dihydrochromen-4-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

300.09976 Da
Monoisotopic Mass

2.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 301.10704 166.3
[M+Na]+ 323.08898 181.2
[M+NH4]+ 318.13358 174.1
[M+K]+ 339.06292 174.8
[M-H]- 299.09248 171.6
[M+Na-2H]- 321.07443 172.5
[M]+ 300.09921 170.0
[M]- 300.10031 170.0
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.