CID 4077126

1-(n-(3,4-dichlorophenyl)carbamoyl)-4-methylpiperidine

Structural Information

Molecular Formula
C13H16Cl2N2O
SMILES
CC1CCN(CC1)C(=O)NC2=CC(=C(C=C2)Cl)Cl
InChI
InChI=1S/C13H16Cl2N2O/c1-9-4-6-17(7-5-9)13(18)16-10-2-3-11(14)12(15)8-10/h2-3,8-9H,4-7H2,1H3,(H,16,18)
InChIKey
SANVZGPUGQWJDR-UHFFFAOYSA-N
Compound name
N-(3,4-dichlorophenyl)-4-methylpiperidine-1-carboxamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

286.06396 Da
Monoisotopic Mass

4.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 287.071236 163.5
[M+Na]+ 309.053178 170.6
[M-H]- 285.056684 167.5
[M+NH4]+ 304.097783 179.0
[M+K]+ 325.027118 164.8
[M+H-H2O]+ 269.061220 156.9
[M+HCOO]- 331.062161 173.3
[M+CH3COO]- 345.077811 199.9
[M+Na-2H]- 307.038626 164.8
[M]+ 286.06341142 162.2
[M]- 286.06450858 162.2
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.