CID 262390

1603-46-9

Structural Information

Molecular Formula
C17H16O5
SMILES
COC1(C(C(=O)C2=CC=CC=C2O1)(O)OC)C3=CC=CC=C3
InChI
InChI=1S/C17H16O5/c1-20-16(19)15(18)13-10-6-7-11-14(13)22-17(16,21-2)12-8-4-3-5-9-12/h3-11,19H,1-2H3
InChIKey
LSDQPHGAMNDNCK-UHFFFAOYSA-N
Compound name
3-hydroxy-2,3-dimethoxy-2-phenylchromen-4-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

3
Patents

300.09976 Da
Monoisotopic Mass

1.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 301.10704 166.1
[M+Na]+ 323.08898 175.2
[M-H]- 299.09248 173.7
[M+NH4]+ 318.13358 184.2
[M+K]+ 339.06292 173.7
[M+H-H2O]+ 283.09702 158.7
[M+HCOO]- 345.09796 185.1
[M+CH3COO]- 359.11361 199.5
[M+Na-2H]- 321.07443 174.5
[M]+ 300.09921 169.5
[M]- 300.10031 169.5
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.