CID 37923

8-(dimethylaminomethyl)-3-ethyl-7-methoxyflavone hydrochloride

Structural Information

Molecular Formula

C₂₁H₂₃NO₃

SMILES

CCC1=C(OC2=C(C1=O)C=CC(=C2CN(C)C)OC)C3=CC=CC=C3

InChI

InChI=1S/C21H23NO3/c1-5-15-19(23)16-11-12-18(24-4)17(13-22(2)3)21(16)25-20(15)14-9-7-6-8-10-14/h6-12H,5,13H2,1-4H3

InChIKey

HLICTKPAIIKLGJ-UHFFFAOYSA-N

Compound name

8-[(dimethylamino)methyl]-3-ethyl-7-methoxy-2-phenylchromen-4-one

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 1
Patents: 337.1678 Da
Monoisotopic Mass: 4.1
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]+	338.175076	181.8
[M+Na]+	360.157018	190.7
[M-H]-	336.160524	192.0
[M+NH4]+	355.201623	196.0
[M+K]+	376.130958	188.4
[M+H-H2O]+	320.165060	172.6
[M+HCOO]-	382.166001	204.7
[M+CH3COO]-	396.181651	220.4
[M+Na-2H]-	358.142466	185.8
[M]+	337.16725142	188.6
[M]-	337.16834858	188.6

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.