CID 5361799

3-ethyl-7-hydroxy-8-(piperidinomethyl)flavone hydrochloride

Structural Information

Molecular Formula
C23H25NO3
SMILES
CCC1=C(OC2=C(C1=O)C=CC(=C2CN3CCCCC3)O)C4=CC=CC=C4
InChI
InChI=1S/C23H25NO3/c1-2-17-21(26)18-11-12-20(25)19(15-24-13-7-4-8-14-24)23(18)27-22(17)16-9-5-3-6-10-16/h3,5-6,9-12,25H,2,4,7-8,13-15H2,1H3
InChIKey
SQGZEYUBYDBWJK-UHFFFAOYSA-N
Compound name
3-ethyl-7-hydroxy-2-phenyl-8-(piperidin-1-ylmethyl)chromen-4-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

363.18344 Da
Monoisotopic Mass

4.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 364.190716 189.4
[M+Na]+ 386.172658 195.8
[M-H]- 362.176164 197.3
[M+NH4]+ 381.217263 199.1
[M+K]+ 402.146598 190.6
[M+H-H2O]+ 346.180700 178.6
[M+HCOO]- 408.181641 204.1
[M+CH3COO]- 422.197291 198.4
[M+Na-2H]- 384.158106 191.4
[M]+ 363.18289142 187.8
[M]- 363.18398858 187.8
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.