CID 58048752

N-benzyl-2-bromo-n-phenylpropionamide

Structural Information

Molecular Formula
C16H16BrNO
SMILES
CC(C(=O)N(CC1=CC=CC=C1)C2=CC=CC=C2)Br
InChI
InChI=1S/C16H16BrNO/c1-13(17)16(19)18(15-10-6-3-7-11-15)12-14-8-4-2-5-9-14/h2-11,13H,12H2,1H3
InChIKey
SVPMVGLFGUEUOK-UHFFFAOYSA-N
Compound name
N-benzyl-2-bromo-N-phenylpropanamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

89
Patents

317.04153 Da
Monoisotopic Mass

4.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 318.04881 167.7
[M+Na]+ 340.03075 175.2
[M-H]- 316.03425 177.2
[M+NH4]+ 335.07535 185.4
[M+K]+ 356.00469 164.6
[M+H-H2O]+ 300.03879 165.6
[M+HCOO]- 362.03973 188.6
[M+CH3COO]- 376.05538 207.3
[M+Na-2H]- 338.01620 172.5
[M]+ 317.04098 185.9
[M]- 317.04208 185.9
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

patents stripe