CID 18692655

N,n-dibenzyl-3-bromoaniline

Structural Information

Molecular Formula
C20H18BrN
SMILES
C1=CC=C(C=C1)CN(CC2=CC=CC=C2)C3=CC(=CC=C3)Br
InChI
InChI=1S/C20H18BrN/c21-19-12-7-13-20(14-19)22(15-17-8-3-1-4-9-17)16-18-10-5-2-6-11-18/h1-14H,15-16H2
InChIKey
LETHNKDTJWYRTF-UHFFFAOYSA-N
Compound name
N,N-dibenzyl-3-bromoaniline
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

32
Patents

351.06226 Da
Monoisotopic Mass

5.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 352.06954 172.7
[M+Na]+ 374.05148 179.6
[M+NH4]+ 369.09608 179.2
[M+K]+ 390.02542 175.6
[M-H]- 350.05498 179.5
[M+Na-2H]- 372.03693 182.2
[M]+ 351.06171 174.8
[M]- 351.06281 174.8
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