CID 3347247

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

Structural Information

Molecular Formula
C13H16Cl2N2O
SMILES
CC1CCCN(C1)C(=O)NC2=CC(=C(C=C2)Cl)Cl
InChI
InChI=1S/C13H16Cl2N2O/c1-9-3-2-6-17(8-9)13(18)16-10-4-5-11(14)12(15)7-10/h4-5,7,9H,2-3,6,8H2,1H3,(H,16,18)
InChIKey
SDGKJEDPFHVBFN-UHFFFAOYSA-N
Compound name
N-(3,4-dichlorophenyl)-3-methylpiperidine-1-carboxamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

286.06396 Da
Monoisotopic Mass

3.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 287.07124 163.5
[M+Na]+ 309.05318 170.6
[M-H]- 285.05668 167.5
[M+NH4]+ 304.09778 179.0
[M+K]+ 325.02712 164.8
[M+H-H2O]+ 269.06122 156.9
[M+HCOO]- 331.06216 173.3
[M+CH3COO]- 345.07781 199.9
[M+Na-2H]- 307.03863 164.8
[M]+ 286.06341 162.2
[M]- 286.06451 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.