CID 2592787

4-cyclopentylcarbamoylmethoxybenzophenone

Structural Information

Molecular Formula

C₂₀H₂₁NO₃

SMILES

C1CCC(C1)NC(=O)COC2=CC=C(C=C2)C(=O)C3=CC=CC=C3

InChI

InChI=1S/C20H21NO3/c22-19(21-17-8-4-5-9-17)14-24-18-12-10-16(11-13-18)20(23)15-6-2-1-3-7-15/h1-3,6-7,10-13,17H,4-5,8-9,14H2,(H,21,22)

InChIKey

ZGLGSMHPQKFQNR-UHFFFAOYSA-N

Compound name

2-(4-benzoylphenoxy)-N-cyclopentylacetamide

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 0
Patents: 323.15213 Da
Monoisotopic Mass: 3.8
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	177.0
[M+Na]+	346.141348	179.8
[M-H]-	322.144854	185.7
[M+NH4]+	341.185953	191.3
[M+K]+	362.115288	176.1
[M+H-H2O]+	306.149390	168.1
[M+HCOO]-	368.150331	198.6
[M+CH3COO]-	382.165981	208.1
[M+Na-2H]-	344.126796	177.1
[M]+	323.15158142	174.6
[M]-	323.15267858	174.6

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.