CID 3064295

Piperidine, 1-(2-(dibenzylamino)ethyl)-, dihydrochloride

Structural Information

Molecular Formula
C21H28N2
SMILES
C1CCN(CC1)CCN(CC2=CC=CC=C2)CC3=CC=CC=C3
InChI
InChI=1S/C21H28N2/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/h1-2,4-7,10-13H,3,8-9,14-19H2
InChIKey
RGYUEAWUWIGRSL-UHFFFAOYSA-N
Compound name
N,N-dibenzyl-2-piperidin-1-ylethanamine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

308.22525 Da
Monoisotopic Mass

4.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 309.23253 176.5
[M+Na]+ 331.21447 177.3
[M-H]- 307.21797 183.5
[M+NH4]+ 326.25907 188.7
[M+K]+ 347.18841 172.7
[M+H-H2O]+ 291.22251 165.2
[M+HCOO]- 353.22345 195.6
[M+CH3COO]- 367.23910 185.1
[M+Na-2H]- 329.19992 179.9
[M]+ 308.22470 171.8
[M]- 308.22580 171.8
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.