CID 204837

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

Structural Information

Molecular Formula
C16H23BrN2O
SMILES
CC1=CC(=CC(=C1NC(=O)CCN2CCCCC2)C)Br
InChI
InChI=1S/C16H23BrN2O/c1-12-10-14(17)11-13(2)16(12)18-15(20)6-9-19-7-4-3-5-8-19/h10-11H,3-9H2,1-2H3,(H,18,20)
InChIKey
ISHAGVFYVQVPOJ-UHFFFAOYSA-N
Compound name
N-(4-bromo-2,6-dimethylphenyl)-3-piperidin-1-ylpropanamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

338.09937 Da
Monoisotopic Mass

3.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 339.10665 174.2
[M+Na]+ 361.08859 181.6
[M-H]- 337.09209 180.9
[M+NH4]+ 356.13319 190.0
[M+K]+ 377.06253 169.4
[M+H-H2O]+ 321.09663 171.8
[M+HCOO]- 383.09757 190.3
[M+CH3COO]- 397.11322 210.0
[M+Na-2H]- 359.07404 176.2
[M]+ 338.09882 189.4
[M]- 338.09992 189.4
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.