CID 4124398

3'-chloro-3,4'-dimethyl-1-piperidinecarboxanilide

Structural Information

Molecular Formula
C14H19ClN2O
SMILES
CC1CCCN(C1)C(=O)NC2=CC(=C(C=C2)C)Cl
InChI
InChI=1S/C14H19ClN2O/c1-10-4-3-7-17(9-10)14(18)16-12-6-5-11(2)13(15)8-12/h5-6,8,10H,3-4,7,9H2,1-2H3,(H,16,18)
InChIKey
PJRZIARRIQVSQX-UHFFFAOYSA-N
Compound name
N-(3-chloro-4-methylphenyl)-3-methylpiperidine-1-carboxamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

1
Patents

266.1186 Da
Monoisotopic Mass

3.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 267.12588 162.1
[M+Na]+ 289.10782 168.4
[M-H]- 265.11132 166.8
[M+NH4]+ 284.15242 178.0
[M+K]+ 305.08176 163.6
[M+H-H2O]+ 249.11586 154.7
[M+HCOO]- 311.11680 176.7
[M+CH3COO]- 325.13245 198.5
[M+Na-2H]- 287.09327 163.6
[M]+ 266.11805 159.9
[M]- 266.11915 159.9
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