CID 70411

1-benzyl-4-(cyclohexylamino)piperidine-4-carbonitrile

Structural Information

Molecular Formula
C19H27N3
SMILES
C1CCC(CC1)NC2(CCN(CC2)CC3=CC=CC=C3)C#N
InChI
InChI=1S/C19H27N3/c20-16-19(21-18-9-5-2-6-10-18)11-13-22(14-12-19)15-17-7-3-1-4-8-17/h1,3-4,7-8,18,21H,2,5-6,9-15H2
InChIKey
MNEJRCLOVDRIAQ-UHFFFAOYSA-N
Compound name
1-benzyl-4-(cyclohexylamino)piperidine-4-carbonitrile
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

297.2205 Da
Monoisotopic Mass

3.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 298.22778 180.3
[M+Na]+ 320.20972 190.8
[M+NH4]+ 315.25432 186.7
[M+K]+ 336.18366 177.2
[M-H]- 296.21322 178.9
[M+Na-2H]- 318.19517 186.0
[M]+ 297.21995 180.6
[M]- 297.22105 180.6
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.