CID 5482167

3',4'-dihydroxyphenyl-7-o-(2-hydroxyethyl)-3-o-methylquercetin

Structural Information

Molecular Formula
C18H16O8
SMILES
COC1=C(OC2=CC(=CC(=C2C1=O)O)OCCO)C3=CC(=C(C=C3)O)O
InChI
InChI=1S/C18H16O8/c1-24-18-16(23)15-13(22)7-10(25-5-4-19)8-14(15)26-17(18)9-2-3-11(20)12(21)6-9/h2-3,6-8,19-22H,4-5H2,1H3
InChIKey
AOLRSYILLMZQEX-UHFFFAOYSA-N
Compound name
2-(3,4-dihydroxyphenyl)-5-hydroxy-7-(2-hydroxyethoxy)-3-methoxychromen-4-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

360.0845 Da
Monoisotopic Mass

2.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 361.09178 178.5
[M+Na]+ 383.07372 188.2
[M-H]- 359.07722 183.1
[M+NH4]+ 378.11832 188.6
[M+K]+ 399.04766 186.1
[M+H-H2O]+ 343.08176 170.4
[M+HCOO]- 405.08270 195.6
[M+CH3COO]- 419.09835 208.7
[M+Na-2H]- 381.05917 182.1
[M]+ 360.08395 184.8
[M]- 360.08505 184.8
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.