CID 124291922

4-amino-n-(4-bromophenyl)piperidine-1-carboxamide hydrochloride

Structural Information

Molecular Formula
C12H16BrN3O
SMILES
C1CN(CCC1N)C(=O)NC2=CC=C(C=C2)Br
InChI
InChI=1S/C12H16BrN3O/c13-9-1-3-11(4-2-9)15-12(17)16-7-5-10(14)6-8-16/h1-4,10H,5-8,14H2,(H,15,17)
InChIKey
KSNQUJRZALBPTG-UHFFFAOYSA-N
Compound name
4-amino-N-(4-bromophenyl)piperidine-1-carboxamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

297.04767 Da
Monoisotopic Mass

1.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 298.05495 160.3
[M+Na]+ 320.03689 167.6
[M-H]- 296.04039 166.8
[M+NH4]+ 315.08149 176.8
[M+K]+ 336.01083 155.7
[M+H-H2O]+ 280.04493 157.7
[M+HCOO]- 342.04587 178.0
[M+CH3COO]- 356.06152 201.2
[M+Na-2H]- 318.02234 164.4
[M]+ 297.04712 172.1
[M]- 297.04822 172.1
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.