CID 49744

8-(diethylamino)methyl-7-hydroxyflavone hydrochloride

Structural Information

Molecular Formula

C₂₀H₂₁NO₃

SMILES

CCN(CC)CC1=C(C=CC2=C1OC(=CC2=O)C3=CC=CC=C3)O

InChI

InChI=1S/C20H21NO3/c1-3-21(4-2)13-16-17(22)11-10-15-18(23)12-19(24-20(15)16)14-8-6-5-7-9-14/h5-12,22H,3-4,13H2,1-2H3

InChIKey

VNCXZJLKKUPKCP-UHFFFAOYSA-N

Compound name

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

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 0
Patents: 323.15213 Da
Monoisotopic Mass: 3.4
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]+	324.159406	177.1
[M+Na]+	346.141348	185.1
[M-H]-	322.144854	185.7
[M+NH4]+	341.185953	190.9
[M+K]+	362.115288	182.1
[M+H-H2O]+	306.149390	168.3
[M+HCOO]-	368.150331	198.9
[M+CH3COO]-	382.165981	213.8
[M+Na-2H]-	344.126796	182.0
[M]+	323.15158142	181.4
[M]-	323.15267858	181.4

Literature stripe

literature stripe

Patent stripe

No patent data available for this compound.