CID 11417464

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

Structural Information

Molecular Formula
C19H18O8
SMILES
COC1=CC(=CC(=C1OC)OC)C2=C(C(=O)C3=C(C=C(C=C3O2)O)O)OC
InChI
InChI=1S/C19H18O8/c1-23-13-5-9(6-14(24-2)18(13)25-3)17-19(26-4)16(22)15-11(21)7-10(20)8-12(15)27-17/h5-8,20-21H,1-4H3
InChIKey
YSXLGTWJLNLXKQ-UHFFFAOYSA-N
Compound name
5,7-dihydroxy-3-methoxy-2-(3,4,5-trimethoxyphenyl)chromen-4-one
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

3
References

4
Patents

374.10016 Da
Monoisotopic Mass

3.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 375.107436 182.4
[M+Na]+ 397.089378 193.4
[M-H]- 373.092884 190.0
[M+NH4]+ 392.133983 193.7
[M+K]+ 413.063318 192.9
[M+H-H2O]+ 357.097420 173.9
[M+HCOO]- 419.098361 202.1
[M+CH3COO]- 433.114011 217.1
[M+Na-2H]- 395.074826 185.7
[M]+ 374.09961142 193.0
[M]- 374.10070858 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