CID 16681753

4',5-dihydroxy-3',5',6,7-tetramethoxyflavone

Structural Information

Molecular Formula
C19H18O8
SMILES
COC1=CC(=CC(=C1O)OC)C2=CC(=O)C3=C(C(=C(C=C3O2)OC)OC)O
InChI
InChI=1S/C19H18O8/c1-23-13-5-9(6-14(24-2)17(13)21)11-7-10(20)16-12(27-11)8-15(25-3)19(26-4)18(16)22/h5-8,21-22H,1-4H3
InChIKey
XEHLDSAKZSXOFK-UHFFFAOYSA-N
Compound name
5-hydroxy-2-(4-hydroxy-3,5-dimethoxyphenyl)-6,7-dimethoxychromen-4-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

7
References

1
Patents

374.10016 Da
Monoisotopic Mass

2.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 375.10744 182.4
[M+Na]+ 397.08938 193.4
[M-H]- 373.09288 190.0
[M+NH4]+ 392.13398 193.7
[M+K]+ 413.06332 192.9
[M+H-H2O]+ 357.09742 173.9
[M+HCOO]- 419.09836 202.1
[M+CH3COO]- 433.11401 217.1
[M+Na-2H]- 395.07483 185.7
[M]+ 374.09961 193.0
[M]- 374.10071 193.0
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

patents stripe