CID 5322060

5,7,2'-trihydroxy-8,6'-dimethoxyflavone

Structural Information

Molecular Formula
C17H14O7
SMILES
COC1=CC=CC(=C1C2=CC(=O)C3=C(O2)C(=C(C=C3O)O)OC)O
InChI
InChI=1S/C17H14O7/c1-22-12-5-3-4-8(18)15(12)13-7-10(20)14-9(19)6-11(21)16(23-2)17(14)24-13/h3-7,18-19,21H,1-2H3
InChIKey
OBPTWCJIAIXDRP-UHFFFAOYSA-N
Compound name
5,7-dihydroxy-2-(2-hydroxy-6-methoxyphenyl)-8-methoxychromen-4-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

10
Patents

330.07394 Da
Monoisotopic Mass

2.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 331.08122 171.1
[M+Na]+ 353.06316 182.0
[M-H]- 329.06666 177.4
[M+NH4]+ 348.10776 183.3
[M+K]+ 369.03710 180.1
[M+H-H2O]+ 313.07120 163.4
[M+HCOO]- 375.07214 189.9
[M+CH3COO]- 389.08779 205.3
[M+Na-2H]- 351.04861 175.5
[M]+ 330.07339 177.4
[M]- 330.07449 177.4
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