CID 5361741

Chromone, 8-(diethylaminomethyl)-2,3-diethyl-7-hydroxy-, hydrochloride

Structural Information

Molecular Formula

C₁₈H₂₅NO₃

SMILES

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

InChI

InChI=1S/C18H25NO3/c1-5-12-16(6-2)22-18-13(17(12)21)9-10-15(20)14(18)11-19(7-3)8-4/h9-10,20H,5-8,11H2,1-4H3

InChIKey

KYOABDCVSFORIY-UHFFFAOYSA-N

Compound name

8-(diethylaminomethyl)-2,3-diethyl-7-hydroxychromen-4-one

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 0
Patents: 303.18344 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]+	304.190716	173.4
[M+Na]+	326.172658	182.0
[M-H]-	302.176164	179.1
[M+NH4]+	321.217263	189.0
[M+K]+	342.146598	179.9
[M+H-H2O]+	286.180700	166.2
[M+HCOO]-	348.181641	194.6
[M+CH3COO]-	362.197291	213.1
[M+Na-2H]-	324.158106	176.4
[M]+	303.18289142	180.1
[M]-	303.18398858	180.1

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.