CID 42285

8-piperidylmethyldihydroquercetin, hydrochloride

Structural Information

Molecular Formula
C21H23NO7
SMILES
C1CCN(CC1)CC2=C3C(=C(C=C2O)O)C(=O)C(C(O3)C4=CC(=C(C=C4)O)O)O
InChI
InChI=1S/C21H23NO7/c23-13-5-4-11(8-15(13)25)20-19(28)18(27)17-16(26)9-14(24)12(21(17)29-20)10-22-6-2-1-3-7-22/h4-5,8-9,19-20,23-26,28H,1-3,6-7,10H2
InChIKey
GDAFRBNBEKQMMO-UHFFFAOYSA-N
Compound name
2-(3,4-dihydroxyphenyl)-3,5,7-trihydroxy-8-(piperidin-1-ylmethyl)-2,3-dihydrochromen-4-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

401.14746 Da
Monoisotopic Mass

2.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 402.15474 194.9
[M+Na]+ 424.13668 200.1
[M-H]- 400.14018 198.2
[M+NH4]+ 419.18128 200.5
[M+K]+ 440.11062 196.3
[M+H-H2O]+ 384.14472 185.6
[M+HCOO]- 446.14566 201.9
[M+CH3COO]- 460.16131 216.1
[M+Na-2H]- 422.12213 193.3
[M]+ 401.14691 190.4
[M]- 401.14801 190.4
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.