CID 6453

Amolanone

Structural Information

Molecular Formula

C₂₀H₂₃NO₂

SMILES

CCN(CC)CCC1(C2=CC=CC=C2OC1=O)C3=CC=CC=C3

InChI

InChI=1S/C20H23NO2/c1-3-21(4-2)15-14-20(16-10-6-5-7-11-16)17-12-8-9-13-18(17)23-19(20)22/h5-13H,3-4,14-15H2,1-2H3

InChIKey

HPITVGRITATAFY-UHFFFAOYSA-N

Compound name

3-[2-(diethylamino)ethyl]-3-phenyl-1-benzofuran-2-one

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 1
References: 2067
Patents: 309.17288 Da
Monoisotopic Mass: 4.0
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]+	310.18016	174.7
[M+Na]+	332.16210	187.7
[M+NH4]+	327.20670	184.9
[M+K]+	348.13604	179.4
[M-H]-	308.16560	181.3
[M+Na-2H]-	330.14755	183.0
[M]+	309.17233	178.7
[M]-	309.17343	178.7

Literature stripe

literature stripe

Patent stripe

patents stripe