CID 3064201

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

Structural Information

Molecular Formula
C20H32N2
SMILES
C1CCC(CC1)N(CCN2CCCCC2)CC3=CC=CC=C3
InChI
InChI=1S/C20H32N2/c1-4-10-19(11-5-1)18-22(20-12-6-2-7-13-20)17-16-21-14-8-3-9-15-21/h1,4-5,10-11,20H,2-3,6-9,12-18H2
InChIKey
UWVVNDDDPRDDBD-UHFFFAOYSA-N
Compound name
N-benzyl-N-(2-piperidin-1-ylethyl)cyclohexanamine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

300.25656 Da
Monoisotopic Mass

4.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 301.26384 175.9
[M+Na]+ 323.24578 174.0
[M-H]- 299.24928 182.0
[M+NH4]+ 318.29038 188.2
[M+K]+ 339.21972 170.3
[M+H-H2O]+ 283.25382 164.7
[M+HCOO]- 345.25476 191.0
[M+CH3COO]- 359.27041 208.8
[M+Na-2H]- 321.23123 176.7
[M]+ 300.25601 166.6
[M]- 300.25711 166.6
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.