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]+ 364.19072 189.4
[M+Na]+ 386.17266 195.8
[M-H]- 362.17616 197.3
[M+NH4]+ 381.21726 199.1
[M+K]+ 402.14660 190.6
[M+H-H2O]+ 346.18070 178.6
[M+HCOO]- 408.18164 204.1
[M+CH3COO]- 422.19729 198.4
[M+Na-2H]- 384.15811 191.4
[M]+ 363.18289 187.8
[M]- 363.18399 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.