CID 14104185

5,3',4'-trihydroxy-6,7,5'-trimethoxyflavone

Structural Information

Molecular Formula
C18H16O8
SMILES
COC1=CC(=CC(=C1O)O)C2=CC(=O)C3=C(C(=C(C=C3O2)OC)OC)O
InChI
InChI=1S/C18H16O8/c1-23-13-5-8(4-10(20)16(13)21)11-6-9(19)15-12(26-11)7-14(24-2)18(25-3)17(15)22/h4-7,20-22H,1-3H3
InChIKey
JBUFPFWXCGXXLP-UHFFFAOYSA-N
Compound name
2-(3,4-dihydroxy-5-methoxyphenyl)-5-hydroxy-6,7-dimethoxychromen-4-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

360.0845 Da
Monoisotopic Mass

2.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 361.09178 178.4
[M+Na]+ 383.07372 189.3
[M-H]- 359.07722 184.7
[M+NH4]+ 378.11832 189.4
[M+K]+ 399.04766 188.2
[M+H-H2O]+ 343.08176 170.2
[M+HCOO]- 405.08270 196.9
[M+CH3COO]- 419.09835 212.2
[M+Na-2H]- 381.05917 181.7
[M]+ 360.08395 186.8
[M]- 360.08505 186.8
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

No patent data available for this compound.