CID 27443

Flavamine

Structural Information

Molecular Formula

C₂₁H₂₃NO₂

SMILES

CCN(CC)CC1=CC2=C(C=C1)OC(=C(C2=O)C)C3=CC=CC=C3

InChI

InChI=1S/C21H23NO2/c1-4-22(5-2)14-16-11-12-19-18(13-16)20(23)15(3)21(24-19)17-9-7-6-8-10-17/h6-13H,4-5,14H2,1-3H3

InChIKey

LJVZNDLLRXZPNO-UHFFFAOYSA-N

Compound name

6-(diethylaminomethyl)-3-methyl-2-phenylchromen-4-one

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 39
Patents: 321.17288 Da
Monoisotopic Mass: 4.5
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]+	322.18016	178.5
[M+Na]+	344.16210	186.7
[M-H]-	320.16560	188.3
[M+NH4]+	339.20670	193.1
[M+K]+	360.13604	183.5
[M+H-H2O]+	304.17014	169.4
[M+HCOO]-	366.17108	201.3
[M+CH3COO]-	380.18673	217.0
[M+Na-2H]-	342.14755	183.2
[M]+	321.17233	183.4
[M]-	321.17343	183.4

Literature stripe

literature stripe

Patent stripe

patents stripe