CID 14483219

3,5,7,3',4'-pentahydroxy-6,8-dimethoxyflavone

Structural Information

Molecular Formula
C17H14O9
SMILES
COC1=C(C(=C2C(=C1O)C(=O)C(=C(O2)C3=CC(=C(C=C3)O)O)O)OC)O
InChI
InChI=1S/C17H14O9/c1-24-16-11(21)9-10(20)12(22)14(6-3-4-7(18)8(19)5-6)26-15(9)17(25-2)13(16)23/h3-5,18-19,21-23H,1-2H3
InChIKey
KSJBARLBEFNDQZ-UHFFFAOYSA-N
Compound name
2-(3,4-dihydroxyphenyl)-3,5,7-trihydroxy-6,8-dimethoxychromen-4-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

7
Patents

362.06378 Da
Monoisotopic Mass

2.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 363.07106 177.6
[M+Na]+ 385.05300 188.5
[M-H]- 361.05650 181.7
[M+NH4]+ 380.09760 187.2
[M+K]+ 401.02694 187.1
[M+H-H2O]+ 345.06104 169.9
[M+HCOO]- 407.06198 193.4
[M+CH3COO]- 421.07763 209.5
[M+Na-2H]- 383.03845 180.0
[M]+ 362.06323 184.1
[M]- 362.06433 184.1
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