CID 165368633

Chebi:192817

Structural Information

Molecular Formula
C17H16O6
SMILES
COC1=CC=C(C=C1)[C@@H]2CC(=O)C3=C(C(=C(C=C3O2)OC)O)O
InChI
InChI=1S/C17H16O6/c1-21-10-5-3-9(4-6-10)12-7-11(18)15-13(23-12)8-14(22-2)16(19)17(15)20/h3-6,8,12,19-20H,7H2,1-2H3/t12-/m0/s1
InChIKey
MFNNBYIVJIVZFM-LBPRGKRZSA-N
Compound name
(2S)-5,6-dihydroxy-7-methoxy-2-(4-methoxyphenyl)-2,3-dihydrochromen-4-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

316.0947 Da
Monoisotopic Mass

2.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 317.10198 169.9
[M+Na]+ 339.08392 184.0
[M+NH4]+ 334.12852 176.7
[M+K]+ 355.05786 178.6
[M-H]- 315.08742 174.2
[M+Na-2H]- 337.06937 174.7
[M]+ 316.09415 173.1
[M]- 316.09525 173.1
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.