CID 71591987

4',5,7-trihydroxy-3',5'-dimethoxyflavone

Structural Information

Molecular Formula
C18H16O6
SMILES
COC1=CC(=CC(=C1O)OC)C2=CC(=O)C3=C(C2)C=C(C=C3O)O
InChI
InChI=1S/C18H16O6/c1-23-15-6-10(7-16(24-2)18(15)22)9-3-11-4-12(19)8-14(21)17(11)13(20)5-9/h4-8,19,21-22H,3H2,1-2H3
InChIKey
MPFORYWXTDFOTN-UHFFFAOYSA-N
Compound name
6,8-dihydroxy-3-(4-hydroxy-3,5-dimethoxyphenyl)-4H-naphthalen-1-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

328.0947 Da
Monoisotopic Mass

2.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 329.10198 172.3
[M+Na]+ 351.08392 181.8
[M-H]- 327.08742 177.2
[M+NH4]+ 346.12852 185.8
[M+K]+ 367.05786 178.1
[M+H-H2O]+ 311.09196 164.9
[M+HCOO]- 373.09290 190.1
[M+CH3COO]- 387.10855 205.9
[M+Na-2H]- 349.06937 174.5
[M]+ 328.09415 175.4
[M]- 328.09525 175.4
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.