CID 3822481

4-benzyl-n-(3-chlorophenyl)-1-piperidinecarboxamide

Structural Information

Molecular Formula
C19H21ClN2O
SMILES
C1CN(CCC1CC2=CC=CC=C2)C(=O)NC3=CC(=CC=C3)Cl
InChI
InChI=1S/C19H21ClN2O/c20-17-7-4-8-18(14-17)21-19(23)22-11-9-16(10-12-22)13-15-5-2-1-3-6-15/h1-8,14,16H,9-13H2,(H,21,23)
InChIKey
AIYRAPUSENGMIS-UHFFFAOYSA-N
Compound name
4-benzyl-N-(3-chlorophenyl)piperidine-1-carboxamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

6
Patents

328.13425 Da
Monoisotopic Mass

4.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 329.14153 178.2
[M+Na]+ 351.12347 182.7
[M-H]- 327.12697 185.0
[M+NH4]+ 346.16807 190.6
[M+K]+ 367.09741 176.1
[M+H-H2O]+ 311.13151 168.5
[M+HCOO]- 373.13245 192.4
[M+CH3COO]- 387.14810 187.3
[M+Na-2H]- 349.10892 180.3
[M]+ 328.13370 174.9
[M]- 328.13480 174.9
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

patents stripe