CID 285423

N,n-dibenzyl-4-bromoaniline

Structural Information

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

2D Structure

compound 2d structure
1
Annotation Hits

0
References

86
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

literature stripe

Patent stripe

patents stripe