CID 35739

6,8-dimorpholinomethylquercetin, dihydrochloride

Structural Information

Molecular Formula
C25H28N2O9
SMILES
C1COCCN1CC2=C(C(=C3C(=C2O)C(=O)C(=C(O3)C4=CC(=C(C=C4)O)O)O)CN5CCOCC5)O
InChI
InChI=1S/C25H28N2O9/c28-17-2-1-14(11-18(17)29)24-23(33)22(32)19-21(31)15(12-26-3-7-34-8-4-26)20(30)16(25(19)36-24)13-27-5-9-35-10-6-27/h1-2,11,28-31,33H,3-10,12-13H2
InChIKey
VACJLWFXUIKAJZ-UHFFFAOYSA-N
Compound name
2-(3,4-dihydroxyphenyl)-3,5,7-trihydroxy-6,8-bis(morpholin-4-ylmethyl)chromen-4-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

500.17947 Da
Monoisotopic Mass

1.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 501.18675 222.1
[M+Na]+ 523.16869 234.6
[M+NH4]+ 518.21329 224.7
[M+K]+ 539.14263 231.4
[M-H]- 499.17219 229.4
[M+Na-2H]- 521.15414 222.9
[M]+ 500.17892 225.7
[M]- 500.18002 225.7
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.