CID 986620

N,n-dibenzyl-2-bromobenzamide

Structural Information

Molecular Formula
C21H18BrNO
SMILES
C1=CC=C(C=C1)CN(CC2=CC=CC=C2)C(=O)C3=CC=CC=C3Br
InChI
InChI=1S/C21H18BrNO/c22-20-14-8-7-13-19(20)21(24)23(15-17-9-3-1-4-10-17)16-18-11-5-2-6-12-18/h1-14H,15-16H2
InChIKey
ZUGSMSIGBOZFOP-UHFFFAOYSA-N
Compound name
N,N-dibenzyl-2-bromobenzamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

2
Patents

379.0572 Da
Monoisotopic Mass

5.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 380.06448 184.5
[M+Na]+ 402.04642 191.8
[M-H]- 378.04992 196.5
[M+NH4]+ 397.09102 199.4
[M+K]+ 418.02036 179.9
[M+H-H2O]+ 362.05446 181.2
[M+HCOO]- 424.05540 205.7
[M+CH3COO]- 438.07105 217.6
[M+Na-2H]- 400.03187 189.3
[M]+ 379.05665 202.5
[M]- 379.05775 202.5
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

patents stripe