CID 114327700

2-bromo-n-butyl-2-methyl-n-phenylpropanamide

Structural Information

Molecular Formula
C14H20BrNO
SMILES
CCCCN(C1=CC=CC=C1)C(=O)C(C)(C)Br
InChI
InChI=1S/C14H20BrNO/c1-4-5-11-16(13(17)14(2,3)15)12-9-7-6-8-10-12/h6-10H,4-5,11H2,1-3H3
InChIKey
KQZACEMJMVGGPO-UHFFFAOYSA-N
Compound name
2-bromo-N-butyl-2-methyl-N-phenylpropanamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

297.0728 Da
Monoisotopic Mass

3.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 298.08008 164.8
[M+Na]+ 320.06202 173.1
[M-H]- 296.06552 171.6
[M+NH4]+ 315.10662 184.0
[M+K]+ 336.03596 162.6
[M+H-H2O]+ 280.07006 163.7
[M+HCOO]- 342.07100 184.5
[M+CH3COO]- 356.08665 205.3
[M+Na-2H]- 318.04747 170.0
[M]+ 297.07225 184.9
[M]- 297.07335 184.9
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.