CID 3064203

Piperidine, 1-(2-(benzyl(cyclohexylmethyl)amino)ethyl)-, monohydrochloride

Structural Information

Molecular Formula
C21H34N2
SMILES
C1CCC(CC1)CN(CCN2CCCCC2)CC3=CC=CC=C3
InChI
InChI=1S/C21H34N2/c1-4-10-20(11-5-1)18-23(19-21-12-6-2-7-13-21)17-16-22-14-8-3-9-15-22/h1,4-5,10-11,21H,2-3,6-9,12-19H2
InChIKey
YFGIZKNOQXPKBS-UHFFFAOYSA-N
Compound name
N-benzyl-N-(cyclohexylmethyl)-2-piperidin-1-ylethanamine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

314.2722 Da
Monoisotopic Mass

5.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 315.27948 180.3
[M+Na]+ 337.26142 177.9
[M-H]- 313.26492 186.1
[M+NH4]+ 332.30602 191.9
[M+K]+ 353.23536 174.0
[M+H-H2O]+ 297.26946 168.8
[M+HCOO]- 359.27040 195.0
[M+CH3COO]- 373.28605 211.8
[M+Na-2H]- 335.24687 180.5
[M]+ 314.27165 171.2
[M]- 314.27275 171.2
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.