CID 2592797

4-cyclohexylcarbamoylmethoxybenzophenone

Structural Information

Molecular Formula

C₂₁H₂₃NO₃

SMILES

C1CCC(CC1)NC(=O)COC2=CC=C(C=C2)C(=O)C3=CC=CC=C3

InChI

InChI=1S/C21H23NO3/c23-20(22-18-9-5-2-6-10-18)15-25-19-13-11-17(12-14-19)21(24)16-7-3-1-4-8-16/h1,3-4,7-8,11-14,18H,2,5-6,9-10,15H2,(H,22,23)

InChIKey

OZASRIDZANFMKE-UHFFFAOYSA-N

Compound name

2-(4-benzoylphenoxy)-N-cyclohexylacetamide

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 6
References: 0
Patents: 337.1678 Da
Monoisotopic Mass: 4.4
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]+	338.175076	180.5
[M+Na]+	360.157018	181.9
[M-H]-	336.160524	188.3
[M+NH4]+	355.201623	192.1
[M+K]+	376.130958	178.0
[M+H-H2O]+	320.165060	170.6
[M+HCOO]-	382.166001	199.4
[M+CH3COO]-	396.181651	211.7
[M+Na-2H]-	358.142466	181.6
[M]+	337.16725142	176.1
[M]-	337.16834858	176.1

Literature stripe

literature stripe

Patent stripe

No patent data available for this compound.