CID 45308

Ap 56

Structural Information

Molecular Formula

C₂₀H₂₁NO₃

SMILES

C1COCCN1CCC2(C3=CC=CC=C3OC2=O)C4=CC=CC=C4

InChI

InChI=1S/C20H21NO3/c22-19-20(16-6-2-1-3-7-16,10-11-21-12-14-23-15-13-21)17-8-4-5-9-18(17)24-19/h1-9H,10-15H2

InChIKey

NGAHPZMFYXWQOI-UHFFFAOYSA-N

Compound name

3-(2-morpholin-4-ylethyl)-3-phenyl-1-benzofuran-2-one

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 0
Patents: 323.15213 Da
Monoisotopic Mass: 2.9
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]+	324.159406	176.0
[M+Na]+	346.141348	181.8
[M-H]-	322.144854	185.6
[M+NH4]+	341.185953	189.9
[M+K]+	362.115288	179.4
[M+H-H2O]+	306.149390	166.7
[M+HCOO]-	368.150331	192.0
[M+CH3COO]-	382.165981	186.4
[M+Na-2H]-	344.126796	179.8
[M]+	323.15158142	174.5
[M]-	323.15267858	174.5

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.