CID 6465519

N-(3-chloro-4-methylphenyl)-2-ethyl-1-piperidinecarboxamide

Structural Information

Molecular Formula
C15H21ClN2O
SMILES
CCC1CCCCN1C(=O)NC2=CC(=C(C=C2)C)Cl
InChI
InChI=1S/C15H21ClN2O/c1-3-13-6-4-5-9-18(13)15(19)17-12-8-7-11(2)14(16)10-12/h7-8,10,13H,3-6,9H2,1-2H3,(H,17,19)
InChIKey
FDMYTWWUPMMOOO-UHFFFAOYSA-N
Compound name
N-(3-chloro-4-methylphenyl)-2-ethylpiperidine-1-carboxamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

280.13425 Da
Monoisotopic Mass

3.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 281.14153 166.6
[M+Na]+ 303.12347 172.6
[M-H]- 279.12697 171.1
[M+NH4]+ 298.16807 182.0
[M+K]+ 319.09741 167.5
[M+H-H2O]+ 263.13151 159.1
[M+HCOO]- 325.13245 180.9
[M+CH3COO]- 339.14810 201.5
[M+Na-2H]- 301.10892 167.6
[M]+ 280.13370 164.8
[M]- 280.13480 164.8
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.