CID 70584

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

Structural Information

Molecular Formula
C19H29N3O
SMILES
C1CCC(CC1)NC2(CCN(CC2)CC3=CC=CC=C3)C(=O)N
InChI
InChI=1S/C19H29N3O/c20-18(23)19(21-17-9-5-2-6-10-17)11-13-22(14-12-19)15-16-7-3-1-4-8-16/h1,3-4,7-8,17,21H,2,5-6,9-15H2,(H2,20,23)
InChIKey
WVWNBANESWUIBO-UHFFFAOYSA-N
Compound name
1-benzyl-4-(cyclohexylamino)piperidine-4-carboxamide
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

5
References

1
Patents

315.23105 Da
Monoisotopic Mass

2.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 316.238326 177.5
[M+Na]+ 338.220268 177.2
[M-H]- 314.223774 182.7
[M+NH4]+ 333.264873 190.2
[M+K]+ 354.194208 172.9
[M+H-H2O]+ 298.228310 167.3
[M+HCOO]- 360.229251 192.3
[M+CH3COO]- 374.244901 209.8
[M+Na-2H]- 336.205716 178.5
[M]+ 315.23050142 166.0
[M]- 315.23159858 166.0
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe