CID 5361767

3-ethyl-7-hydroxy-2-methyl-8-morpholinomethylchromone hydrochloride

Structural Information

Molecular Formula

C₁₇H₂₁NO₄

SMILES

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

InChI

InChI=1S/C17H21NO4/c1-3-12-11(2)22-17-13(16(12)20)4-5-15(19)14(17)10-18-6-8-21-9-7-18/h4-5,19H,3,6-10H2,1-2H3

InChIKey

MMCQQBRALYRDCC-UHFFFAOYSA-N

Compound name

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

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 0
Patents: 303.14706 Da
Monoisotopic Mass: 1.8
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]+	304.154336	171.7
[M+Na]+	326.136278	179.8
[M-H]-	302.139784	178.0
[M+NH4]+	321.180883	183.4
[M+K]+	342.110218	177.8
[M+H-H2O]+	286.144320	163.1
[M+HCOO]-	348.145261	186.6
[M+CH3COO]-	362.160911	204.0
[M+Na-2H]-	324.121726	175.5
[M]+	303.14651142	173.2
[M]-	303.14760858	173.2

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.