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]+ 298.080076 164.8
[M+Na]+ 320.062018 173.1
[M-H]- 296.065524 171.6
[M+NH4]+ 315.106623 184.0
[M+K]+ 336.035958 162.6
[M+H-H2O]+ 280.070060 163.7
[M+HCOO]- 342.071001 184.5
[M+CH3COO]- 356.086651 205.3
[M+Na-2H]- 318.047466 170.0
[M]+ 297.07225142 184.9
[M]- 297.07334858 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.