CID 16786579

1-(2-amino-5-chlorobenzoyl)piperidine-3-carboxamide

Structural Information

Molecular Formula
C13H16ClN3O2
SMILES
C1CC(CN(C1)C(=O)C2=C(C=CC(=C2)Cl)N)C(=O)N
InChI
InChI=1S/C13H16ClN3O2/c14-9-3-4-11(15)10(6-9)13(19)17-5-1-2-8(7-17)12(16)18/h3-4,6,8H,1-2,5,7,15H2,(H2,16,18)
InChIKey
XGTIHPGAUDNIPB-UHFFFAOYSA-N
Compound name
1-(2-amino-5-chlorobenzoyl)piperidine-3-carboxamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

281.0931 Da
Monoisotopic Mass

1.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 282.10038 164.1
[M+Na]+ 304.08232 169.9
[M-H]- 280.08582 168.0
[M+NH4]+ 299.12692 178.2
[M+K]+ 320.05626 165.2
[M+H-H2O]+ 264.09036 156.9
[M+HCOO]- 326.09130 178.3
[M+CH3COO]- 340.10695 202.5
[M+Na-2H]- 302.06777 163.5
[M]+ 281.09255 159.2
[M]- 281.09365 159.2
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.