CID 5361812

7-hydroxy-8-(piperidinomethyl)isoflavone hydrochloride

Structural Information

Molecular Formula
C21H21NO3
SMILES
C1CCN(CC1)CC2=C(C=CC3=C2OC=C(C3=O)C4=CC=CC=C4)O
InChI
InChI=1S/C21H21NO3/c23-19-10-9-16-20(24)18(15-7-3-1-4-8-15)14-25-21(16)17(19)13-22-11-5-2-6-12-22/h1,3-4,7-10,14,23H,2,5-6,11-13H2
InChIKey
WRKNCGBLJWHTCH-UHFFFAOYSA-N
Compound name
7-hydroxy-3-phenyl-8-(piperidin-1-ylmethyl)chromen-4-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

2
References

0
Patents

335.15213 Da
Monoisotopic Mass

3.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 336.15941 179.7
[M+Na]+ 358.14135 186.2
[M-H]- 334.14485 187.6
[M+NH4]+ 353.18595 190.3
[M+K]+ 374.11529 181.2
[M+H-H2O]+ 318.14939 169.1
[M+HCOO]- 380.15033 195.2
[M+CH3COO]- 394.16598 189.2
[M+Na-2H]- 356.12680 183.5
[M]+ 335.15158 177.1
[M]- 335.15268 177.1
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.