CID 5746050

Chromone, 8-(diethylamino)methyl-2-ethyl-7-hydroxy-3-methyl-, hydrochloride

Structural Information

Molecular Formula

C₁₇H₂₃NO₃

SMILES

CCC1=C(C(=O)C2=C(O1)C(=C(C=C2)O)CN(CC)CC)C

InChI

InChI=1S/C17H23NO3/c1-5-15-11(4)16(20)12-8-9-14(19)13(17(12)21-15)10-18(6-2)7-3/h8-9,19H,5-7,10H2,1-4H3

InChIKey

BGTOXOYNKGWFAY-UHFFFAOYSA-N

Compound name

8-(diethylaminomethyl)-2-ethyl-7-hydroxy-3-methylchromen-4-one

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 0
Patents: 289.1678 Da
Monoisotopic Mass: 3.2
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]+	290.175076	168.6
[M+Na]+	312.157018	177.6
[M-H]-	288.160524	174.5
[M+NH4]+	307.201623	184.8
[M+K]+	328.130958	175.8
[M+H-H2O]+	272.165060	161.6
[M+HCOO]-	334.166001	190.1
[M+CH3COO]-	348.181651	210.2
[M+Na-2H]-	310.142466	172.1
[M]+	289.16725142	175.0
[M]-	289.16834858	175.0

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.