CID 16227196

1-(2-chloroacetyl)-n-phenylpiperidine-4-carboxamide

Structural Information

Molecular Formula
C14H17ClN2O2
SMILES
C1CN(CCC1C(=O)NC2=CC=CC=C2)C(=O)CCl
InChI
InChI=1S/C14H17ClN2O2/c15-10-13(18)17-8-6-11(7-9-17)14(19)16-12-4-2-1-3-5-12/h1-5,11H,6-10H2,(H,16,19)
InChIKey
MJKSKCQYZODZCW-UHFFFAOYSA-N
Compound name
1-(2-chloroacetyl)-N-phenylpiperidine-4-carboxamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

3
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 167.8
[M-H]- 279.090594 167.5
[M+NH4]+ 298.131693 177.9
[M+K]+ 319.061028 163.5
[M+H-H2O]+ 263.095130 155.6
[M+HCOO]- 325.096071 177.5
[M+CH3COO]- 339.111721 198.3
[M+Na-2H]- 301.072536 165.4
[M]+ 280.09732142 160.7
[M]- 280.09841858 160.7
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