CID 205250

1-piperidineaceto-2',6'-xylidide, 4'-bromo-

Structural Information

Molecular Formula
C15H21BrN2O
SMILES
CC1=CC(=CC(=C1NC(=O)CN2CCCCC2)C)Br
InChI
InChI=1S/C15H21BrN2O/c1-11-8-13(16)9-12(2)15(11)17-14(19)10-18-6-4-3-5-7-18/h8-9H,3-7,10H2,1-2H3,(H,17,19)
InChIKey
UUVAZBRXGLBOCD-UHFFFAOYSA-N
Compound name
N-(4-bromo-2,6-dimethylphenyl)-2-piperidin-1-ylacetamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

324.08374 Da
Monoisotopic Mass

3.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 325.09102 169.7
[M+Na]+ 347.07296 177.6
[M-H]- 323.07646 176.6
[M+NH4]+ 342.11756 186.1
[M+K]+ 363.04690 165.6
[M+H-H2O]+ 307.08100 167.5
[M+HCOO]- 369.08194 186.2
[M+CH3COO]- 383.09759 207.2
[M+Na-2H]- 345.05841 172.3
[M]+ 324.08319 184.7
[M]- 324.08429 184.7
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.