CID 5482168

3',4'-dihydroxyphenyl-7-o-(6-hydroxyhexyl)-3-o-methylquercetin

Structural Information

Molecular Formula
C22H24O8
SMILES
COC1=C(OC2=CC(=CC(=C2C1=O)O)OCCCCCCO)C3=CC(=C(C=C3)O)O
InChI
InChI=1S/C22H24O8/c1-28-22-20(27)19-17(26)11-14(29-9-5-3-2-4-8-23)12-18(19)30-21(22)13-6-7-15(24)16(25)10-13/h6-7,10-12,23-26H,2-5,8-9H2,1H3
InChIKey
AMWNDKOLNGFXPI-UHFFFAOYSA-N
Compound name
2-(3,4-dihydroxyphenyl)-5-hydroxy-7-(6-hydroxyhexoxy)-3-methoxychromen-4-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

416.14713 Da
Monoisotopic Mass

3.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 417.15441 196.7
[M+Na]+ 439.13635 204.4
[M-H]- 415.13985 200.4
[M+NH4]+ 434.18095 204.4
[M+K]+ 455.11029 201.6
[M+H-H2O]+ 399.14439 187.7
[M+HCOO]- 461.14533 212.3
[M+CH3COO]- 475.16098 220.4
[M+Na-2H]- 437.12180 198.2
[M]+ 416.14658 204.1
[M]- 416.14768 204.1
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.