CID 43219678

1-[2-(4-chlorophenyl)-2-oxoethyl]piperidine-4-carboxamide

Structural Information

Molecular Formula
C14H17ClN2O2
SMILES
C1CN(CCC1C(=O)N)CC(=O)C2=CC=C(C=C2)Cl
InChI
InChI=1S/C14H17ClN2O2/c15-12-3-1-10(2-4-12)13(18)9-17-7-5-11(6-8-17)14(16)19/h1-4,11H,5-9H2,(H2,16,19)
InChIKey
IRIZASCTNCMXSH-UHFFFAOYSA-N
Compound name
1-[2-(4-chlorophenyl)-2-oxoethyl]piperidine-4-carboxamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

280.09787 Da
Monoisotopic Mass

1.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 281.105146 163.5
[M+Na]+ 303.087088 168.7
[M-H]- 279.090594 167.3
[M+NH4]+ 298.131693 177.8
[M+K]+ 319.061028 164.0
[M+H-H2O]+ 263.095130 156.0
[M+HCOO]- 325.096071 176.9
[M+CH3COO]- 339.111721 200.2
[M+Na-2H]- 301.072536 163.7
[M]+ 280.09732142 160.3
[M]- 280.09841858 160.3
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.