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]+ 298.054946 160.3
[M+Na]+ 320.036888 167.6
[M-H]- 296.040394 166.8
[M+NH4]+ 315.081493 176.8
[M+K]+ 336.010828 155.7
[M+H-H2O]+ 280.044930 157.7
[M+HCOO]- 342.045871 178.0
[M+CH3COO]- 356.061521 201.2
[M+Na-2H]- 318.022336 164.4
[M]+ 297.04712142 172.1
[M]- 297.04821858 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.