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]+ 281.141526 166.6
[M+Na]+ 303.123468 172.6
[M-H]- 279.126974 171.1
[M+NH4]+ 298.168073 182.0
[M+K]+ 319.097408 167.5
[M+H-H2O]+ 263.131510 159.1
[M+HCOO]- 325.132451 180.9
[M+CH3COO]- 339.148101 201.5
[M+Na-2H]- 301.108916 167.6
[M]+ 280.13370142 164.8
[M]- 280.13479858 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.