CID 54569

Benflurone

Structural Information

Molecular Formula

C₂₁H₁₉NO₂

SMILES

CN(C)CCOC1=CC2=C(C3=CC=CC=C31)C4=CC=CC=C4C2=O

InChI

InChI=1S/C21H19NO2/c1-22(2)11-12-24-19-13-18-20(15-8-4-3-7-14(15)19)16-9-5-6-10-17(16)21(18)23/h3-10,13H,11-12H2,1-2H3

InChIKey

IALAUUKEGMAATC-UHFFFAOYSA-N

Compound name

5-[2-(dimethylamino)ethoxy]benzo[c]fluoren-7-one

Related CIDs

2D Structure

compound 2d structure

2
Annotation Hits: 44
References: 1218
Patents: 317.14157 Da
Monoisotopic Mass: 4.3
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]+	318.14885	174.7
[M+Na]+	340.13079	183.6
[M-H]-	316.13429	182.5
[M+NH4]+	335.17539	194.5
[M+K]+	356.10473	178.7
[M+H-H2O]+	300.13883	166.9
[M+HCOO]-	362.13977	197.1
[M+CH3COO]-	376.15542	186.9
[M+Na-2H]-	338.11624	179.5
[M]+	317.14102	179.6
[M]-	317.14212	179.6

Literature stripe

literature stripe

Patent stripe

patents stripe