CID 11198346

N-benzyl-2-bromo-n-phenylbutanamide

Structural Information

Molecular Formula
C17H18BrNO
SMILES
CCC(C(=O)N(CC1=CC=CC=C1)C2=CC=CC=C2)Br
InChI
InChI=1S/C17H18BrNO/c1-2-16(18)17(20)19(15-11-7-4-8-12-15)13-14-9-5-3-6-10-14/h3-12,16H,2,13H2,1H3
InChIKey
DVAAHBQCAZCHOP-UHFFFAOYSA-N
Compound name
N-benzyl-2-bromo-N-phenylbutanamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

331.0572 Da
Monoisotopic Mass

4.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 332.06448 165.2
[M+Na]+ 354.04642 168.7
[M+NH4]+ 349.09102 170.2
[M+K]+ 370.02036 167.6
[M-H]- 330.04992 168.6
[M+Na-2H]- 352.03187 171.2
[M]+ 331.05665 165.5
[M]- 331.05775 165.5
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

No patent data available for this compound.