CID 5361787

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

Structural Information

Molecular Formula

C₂₀H₂₁NO₃

SMILES

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

InChI

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

InChIKey

ISDRIDZZPLCBOZ-UHFFFAOYSA-N

Compound name

8-[(dimethylamino)methyl]-3-ethyl-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: 3.8
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	177.2
[M+Na]+	346.141348	186.2
[M-H]-	322.144854	186.3
[M+NH4]+	341.185953	191.3
[M+K]+	362.115288	183.2
[M+H-H2O]+	306.149390	168.6
[M+HCOO]-	368.150331	199.0
[M+CH3COO]-	382.165981	215.1
[M+Na-2H]-	344.126796	181.5
[M]+	323.15158142	181.9
[M]-	323.15267858	181.9

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.