CID 3075482

6-piperidinomethyl pinocembrin

Structural Information

Molecular Formula
C21H23NO4
SMILES
C1CCN(CC1)CC2=C(C3=C(C=C2O)O[C@@H](CC3=O)C4=CC=CC=C4)O
InChI
InChI=1S/C21H23NO4/c23-16-11-19-20(21(25)15(16)13-22-9-5-2-6-10-22)17(24)12-18(26-19)14-7-3-1-4-8-14/h1,3-4,7-8,11,18,23,25H,2,5-6,9-10,12-13H2/t18-/m0/s1
InChIKey
CPBYRJHTUVUMDJ-SFHVURJKSA-N
Compound name
(2S)-5,7-dihydroxy-2-phenyl-6-(piperidin-1-ylmethyl)-2,3-dihydrochromen-4-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

353.16272 Da
Monoisotopic Mass

3.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 354.17000 185.4
[M+Na]+ 376.15194 199.3
[M+NH4]+ 371.19654 192.9
[M+K]+ 392.12588 192.0
[M-H]- 352.15544 192.0
[M+Na-2H]- 374.13739 191.1
[M]+ 353.16217 189.2
[M]- 353.16327 189.2
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.