CID 5361783

8-(diethylaminomethyl)-3-ethyl-7-hydroxyflavone hydrochloride

Structural Information

Molecular Formula

C₂₂H₂₅NO₃

SMILES

CCC1=C(OC2=C(C1=O)C=CC(=C2CN(CC)CC)O)C3=CC=CC=C3

InChI

InChI=1S/C22H25NO3/c1-4-16-20(25)17-12-13-19(24)18(14-23(5-2)6-3)22(17)26-21(16)15-10-8-7-9-11-15/h7-13,24H,4-6,14H2,1-3H3

InChIKey

DFNOUSKPLUFJDF-UHFFFAOYSA-N

Compound name

8-(diethylaminomethyl)-3-ethyl-7-hydroxy-2-phenylchromen-4-one

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 0
Patents: 351.18344 Da
Monoisotopic Mass: 4.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Å²) per adduct calculated using CCSbase.
Adduct	m/z	Predicted CCS (Å²)
[M+H]+	352.190716	186.7
[M+Na]+	374.172658	194.7
[M-H]-	350.176164	195.3
[M+NH4]+	369.217263	199.6
[M+K]+	390.146598	191.3
[M+H-H2O]+	334.180700	177.6
[M+HCOO]-	396.181641	207.8
[M+CH3COO]-	410.197291	221.0
[M+Na-2H]-	372.158106	189.8
[M]+	351.18289142	192.0
[M]-	351.18398858	192.0

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.