CID 821444

Piperazinone, 4-(cyclohexylcarbonyl)-1-(phenylmethyl)-

Structural Information

Molecular Formula

C₁₈H₂₄N₂O₂

SMILES

C1CCC(CC1)C(=O)N2CCN(C(=O)C2)CC3=CC=CC=C3

InChI

InChI=1S/C18H24N2O2/c21-17-14-20(18(22)16-9-5-2-6-10-16)12-11-19(17)13-15-7-3-1-4-8-15/h1,3-4,7-8,16H,2,5-6,9-14H2

InChIKey

GWNFKQDKAYLHEE-UHFFFAOYSA-N

Compound name

1-benzyl-4-(cyclohexanecarbonyl)piperazin-2-one

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 3
References: 0
Patents: 300.18378 Da
Monoisotopic Mass: 2.6
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]+	301.191056	174.0
[M+Na]+	323.172998	175.9
[M-H]-	299.176504	178.7
[M+NH4]+	318.217603	185.0
[M+K]+	339.146938	171.6
[M+H-H2O]+	283.181040	163.1
[M+HCOO]-	345.181981	186.6
[M+CH3COO]-	359.197631	202.4
[M+Na-2H]-	321.158446	173.5
[M]+	300.18323142	165.5
[M]-	300.18432858	165.5

Literature stripe

literature stripe

Patent stripe

No patent data available for this compound.