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 177.4
[M+Na]+ 374.05148 185.4
[M-H]- 350.05498 189.5
[M+NH4]+ 369.09608 193.6
[M+K]+ 390.02542 173.1
[M+H-H2O]+ 334.05952 174.5
[M+HCOO]- 396.06046 199.6
[M+CH3COO]- 410.07611 190.1
[M+Na-2H]- 372.03693 183.9
[M]+ 351.06171 195.1
[M]- 351.06281 195.1
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