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 172.4
[M+Na]+ 354.04642 179.5
[M-H]- 330.04992 181.7
[M+NH4]+ 349.09102 189.5
[M+K]+ 370.02036 168.6
[M+H-H2O]+ 314.05446 170.1
[M+HCOO]- 376.05540 192.9
[M+CH3COO]- 390.07105 210.1
[M+Na-2H]- 352.03187 176.6
[M]+ 331.05665 190.9
[M]- 331.05775 190.9
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

No patent data available for this compound.