CID 3064291

Piperidine, 1-(2-((cyclohexylmethyl)veratrylamino)ethyl)-, dihydrochloride

Structural Information

Molecular Formula

C₂₃H₃₈N₂O₂

SMILES

COC1=C(C=C(C=C1)CN(CCN2CCCCC2)CC3CCCCC3)OC

InChI

InChI=1S/C23H38N2O2/c1-26-22-12-11-21(17-23(22)27-2)19-25(18-20-9-5-3-6-10-20)16-15-24-13-7-4-8-14-24/h11-12,17,20H,3-10,13-16,18-19H2,1-2H3

InChIKey

AUDKHJQENROBND-UHFFFAOYSA-N

Compound name

N-(cyclohexylmethyl)-N-[(3,4-dimethoxyphenyl)methyl]-2-piperidin-1-ylethanamine

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 0
Patents: 374.29333 Da
Monoisotopic Mass: 5.0
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]+	375.300606	195.9
[M+Na]+	397.282548	194.3
[M-H]-	373.286054	202.1
[M+NH4]+	392.327153	205.6
[M+K]+	413.256488	191.2
[M+H-H2O]+	357.290590	184.1
[M+HCOO]-	419.291531	210.2
[M+CH3COO]-	433.307181	224.0
[M+Na-2H]-	395.267996	193.8
[M]+	374.29278142	191.2
[M]-	374.29387858	191.2

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.