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]+ 332.064476 172.4
[M+Na]+ 354.046418 179.5
[M-H]- 330.049924 181.7
[M+NH4]+ 349.091023 189.5
[M+K]+ 370.020358 168.6
[M+H-H2O]+ 314.054460 170.1
[M+HCOO]- 376.055401 192.9
[M+CH3COO]- 390.071051 210.1
[M+Na-2H]- 352.031866 176.6
[M]+ 331.05665142 190.9
[M]- 331.05774858 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.