CID 265716

1808-01-1

Structural Information

Molecular Formula
C18H18O7
SMILES
COC1=CC=C(C=C1)C2(C(C(=O)C3=C(O2)C=C(C=C3)OC)(O)O)OC
InChI
InChI=1S/C18H18O7/c1-22-12-6-4-11(5-7-12)18(24-3)17(20,21)16(19)14-9-8-13(23-2)10-15(14)25-18/h4-10,20-21H,1-3H3
InChIKey
PDMJKRSNXGRGBG-UHFFFAOYSA-N
Compound name
3,3-dihydroxy-2,7-dimethoxy-2-(4-methoxyphenyl)chromen-4-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

346.10526 Da
Monoisotopic Mass

1.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 347.11254 175.4
[M+Na]+ 369.09448 184.9
[M-H]- 345.09798 182.0
[M+NH4]+ 364.13908 191.2
[M+K]+ 385.06842 184.2
[M+H-H2O]+ 329.10252 168.3
[M+HCOO]- 391.10346 192.7
[M+CH3COO]- 405.11911 207.4
[M+Na-2H]- 367.07993 182.2
[M]+ 346.10471 181.2
[M]- 346.10581 181.2
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.