CID 3066367

Piperazine, 1-methyl-4-(1-phenylcyclohexylcarbonyl)-, hydrochloride

Structural Information

Molecular Formula

C₁₈H₂₆N₂O

SMILES

CN1CCN(CC1)C(=O)C2(CCCCC2)C3=CC=CC=C3

InChI

InChI=1S/C18H26N2O/c1-19-12-14-20(15-13-19)17(21)18(10-6-3-7-11-18)16-8-4-2-5-9-16/h2,4-5,8-9H,3,6-7,10-15H2,1H3

InChIKey

ADLIRQNMHPKBSQ-UHFFFAOYSA-N

Compound name

(4-methylpiperazin-1-yl)-(1-phenylcyclohexyl)methanone

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 4
Patents: 286.2045 Da
Monoisotopic Mass: 3.1
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]+	287.211776	172.5
[M+Na]+	309.193718	174.4
[M-H]-	285.197224	177.2
[M+NH4]+	304.238323	186.1
[M+K]+	325.167658	170.5
[M+H-H2O]+	269.201760	161.8
[M+HCOO]-	331.202701	184.9
[M+CH3COO]-	345.218351	180.6
[M+Na-2H]-	307.179166	173.6
[M]+	286.20395142	163.2
[M]-	286.20504858	163.2

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe