CID 5361739

Chromone, 8-(diethylaminomethyl)-7-hydroxy-3-methyl-, hydrochloride

Structural Information

Molecular Formula

C₁₅H₁₉NO₃

SMILES

CCN(CC)CC1=C(C=CC2=C1OC=C(C2=O)C)O

InChI

InChI=1S/C15H19NO3/c1-4-16(5-2)8-12-13(17)7-6-11-14(18)10(3)9-19-15(11)12/h6-7,9,17H,4-5,8H2,1-3H3

InChIKey

DFKAHURAMIZJIA-UHFFFAOYSA-N

Compound name

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

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 0
Patents: 261.1365 Da
Monoisotopic Mass: 2.1
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]+	262.143776	159.2
[M+Na]+	284.125718	168.3
[M-H]-	260.129224	165.1
[M+NH4]+	279.170323	176.3
[M+K]+	300.099658	166.8
[M+H-H2O]+	244.133760	152.4
[M+HCOO]-	306.134701	181.5
[M+CH3COO]-	320.150351	202.8
[M+Na-2H]-	282.111166	164.6
[M]+	261.13595142	164.5
[M]-	261.13704858	164.5

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.