CID 282488

3-bromo-n-(1-naphthyl)-1-piperidinecarboxamide

Structural Information

Molecular Formula
C16H17BrN2O
SMILES
C1CC(CN(C1)C(=O)NC2=CC=CC3=CC=CC=C32)Br
InChI
InChI=1S/C16H17BrN2O/c17-13-7-4-10-19(11-13)16(20)18-15-9-3-6-12-5-1-2-8-14(12)15/h1-3,5-6,8-9,13H,4,7,10-11H2,(H,18,20)
InChIKey
FDZWITNVDGBQOL-UHFFFAOYSA-N
Compound name
3-bromo-N-naphthalen-1-ylpiperidine-1-carboxamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

332.05243 Da
Monoisotopic Mass

3.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 333.05971 170.1
[M+Na]+ 355.04165 177.7
[M-H]- 331.04515 177.5
[M+NH4]+ 350.08625 186.5
[M+K]+ 371.01559 165.6
[M+H-H2O]+ 315.04969 167.8
[M+HCOO]- 377.05063 186.0
[M+CH3COO]- 391.06628 181.6
[M+Na-2H]- 353.02710 175.6
[M]+ 332.05188 183.6
[M]- 332.05298 183.6
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.