CID 5361793

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

Structural Information

Molecular Formula

C₂₂H₂₃NO₄

SMILES

CCC1=C(OC2=C(C1=O)C=CC(=C2CN3CCOCC3)O)C4=CC=CC=C4

InChI

InChI=1S/C22H23NO4/c1-2-16-20(25)17-8-9-19(24)18(14-23-10-12-26-13-11-23)22(17)27-21(16)15-6-4-3-5-7-15/h3-9,24H,2,10-14H2,1H3

InChIKey

QSNKTCXEWAIYOZ-UHFFFAOYSA-N

Compound name

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

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 0
Patents: 365.16272 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]+	366.169996	189.2
[M+Na]+	388.151938	196.2
[M-H]-	364.155444	198.1
[M+NH4]+	383.196543	197.5
[M+K]+	404.125878	192.9
[M+H-H2O]+	348.159980	178.4
[M+HCOO]-	410.160921	203.5
[M+CH3COO]-	424.176571	198.6
[M+Na-2H]-	386.137386	192.3
[M]+	365.16217142	189.4
[M]-	365.16326858	189.4

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.