CID 204675

1-cyclohexyl-4-(3,4,5-trimethoxybenzoylethyl)piperazine hydrochloride

Structural Information

Molecular Formula

C₂₂H₃₄N₂O₄

SMILES

COC1=CC(=CC(=C1OC)OC)C(=O)CCN2CCN(CC2)C3CCCCC3

InChI

InChI=1S/C22H34N2O4/c1-26-20-15-17(16-21(27-2)22(20)28-3)19(25)9-10-23-11-13-24(14-12-23)18-7-5-4-6-8-18/h15-16,18H,4-14H2,1-3H3

InChIKey

CZMAGZBYYUHESP-UHFFFAOYSA-N

Compound name

3-(4-cyclohexylpiperazin-1-yl)-1-(3,4,5-trimethoxyphenyl)propan-1-one

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 0
Patents: 390.25186 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]+	391.259136	197.8
[M+Na]+	413.241078	199.1
[M-H]-	389.244584	202.4
[M+NH4]+	408.285683	205.5
[M+K]+	429.215018	196.0
[M+H-H2O]+	373.249120	186.2
[M+HCOO]-	435.250061	209.2
[M+CH3COO]-	449.265711	222.3
[M+Na-2H]-	411.226526	194.2
[M]+	390.25131142	195.2
[M]-	390.25240858	195.2

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.