CID 4190279

1-(n-(2,5-dichlorophenyl)carbamoyl)piperidine

Structural Information

Molecular Formula
C12H14Cl2N2O
SMILES
C1CCN(CC1)C(=O)NC2=C(C=CC(=C2)Cl)Cl
InChI
InChI=1S/C12H14Cl2N2O/c13-9-4-5-10(14)11(8-9)15-12(17)16-6-2-1-3-7-16/h4-5,8H,1-3,6-7H2,(H,15,17)
InChIKey
MPWJAZRKMASWSH-UHFFFAOYSA-N
Compound name
N-(2,5-dichlorophenyl)piperidine-1-carboxamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

272.0483 Da
Monoisotopic Mass

3.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 273.05558 158.9
[M+Na]+ 295.03752 165.5
[M-H]- 271.04102 162.7
[M+NH4]+ 290.08212 174.7
[M+K]+ 311.01146 159.9
[M+H-H2O]+ 255.04556 152.2
[M+HCOO]- 317.04650 169.1
[M+CH3COO]- 331.06215 195.8
[M+Na-2H]- 293.02297 161.5
[M]+ 272.04775 156.9
[M]- 272.04885 156.9
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

No patent data available for this compound.