CID 44258536

5,7,2',4'-tetrahydroxy-6,5'-dimethoxyflavone

Structural Information

Molecular Formula
C17H14O8
SMILES
COC1=C(C=C(C(=C1)C2=CC(=O)C3=C(O2)C=C(C(=C3O)OC)O)O)O
InChI
InChI=1S/C17H14O8/c1-23-13-3-7(8(18)4-9(13)19)12-5-10(20)15-14(25-12)6-11(21)17(24-2)16(15)22/h3-6,18-19,21-22H,1-2H3
InChIKey
BXZSWNFKWJEHAY-UHFFFAOYSA-N
Compound name
2-(2,4-dihydroxy-5-methoxyphenyl)-5,7-dihydroxy-6-methoxychromen-4-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

2
Patents

346.06888 Da
Monoisotopic Mass

2.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 347.07616 174.3
[M+Na]+ 369.05810 185.3
[M-H]- 345.06160 179.5
[M+NH4]+ 364.10270 185.3
[M+K]+ 385.03204 183.6
[M+H-H2O]+ 329.06614 166.7
[M+HCOO]- 391.06708 191.7
[M+CH3COO]- 405.08273 207.3
[M+Na-2H]- 367.04355 177.7
[M]+ 346.06833 180.7
[M]- 346.06943 180.7
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