CID 3044965

Brn 1648723

Structural Information

Molecular Formula

C₁₉H₂₁NO₂

SMILES

CCN(CC)C1=CC(=O)C2=C(O1)C=CC3=C2C=C(C(=C3)C)C

InChI

InChI=1S/C19H21NO2/c1-5-20(6-2)18-11-16(21)19-15-10-13(4)12(3)9-14(15)7-8-17(19)22-18/h7-11H,5-6H2,1-4H3

InChIKey

GZMHCKYUJVVURL-UHFFFAOYSA-N

Compound name

3-(diethylamino)-8,9-dimethylbenzo[f]chromen-1-one

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 0
Patents: 295.15723 Da
Monoisotopic Mass: 4.6
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]+	296.164506	169.4
[M+Na]+	318.146448	180.3
[M-H]-	294.149954	177.9
[M+NH4]+	313.191053	186.9
[M+K]+	334.120388	177.5
[M+H-H2O]+	278.154490	161.5
[M+HCOO]-	340.155431	192.6
[M+CH3COO]-	354.171081	213.9
[M+Na-2H]-	316.131896	176.1
[M]+	295.15668142	176.8
[M]-	295.15777858	176.8

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe