CID 5082703

N-(4-benzyloxybenzylidene)-2-bromo-4-methylaniline

Structural Information

Molecular Formula
C21H18BrNO
SMILES
CC1=CC(=C(C=C1)N=CC2=CC=C(C=C2)OCC3=CC=CC=C3)Br
InChI
InChI=1S/C21H18BrNO/c1-16-7-12-21(20(22)13-16)23-14-17-8-10-19(11-9-17)24-15-18-5-3-2-4-6-18/h2-14H,15H2,1H3
InChIKey
LJRPBZOLWVYPRQ-UHFFFAOYSA-N
Compound name
N-(2-bromo-4-methylphenyl)-1-(4-phenylmethoxyphenyl)methanimine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

379.0572 Da
Monoisotopic Mass

5.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 380.06448 180.2
[M+Na]+ 402.04642 187.4
[M+NH4]+ 397.09102 185.9
[M+K]+ 418.02036 183.1
[M-H]- 378.04992 186.5
[M+Na-2H]- 400.03187 188.7
[M]+ 379.05665 182.2
[M]- 379.05775 182.2
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

No patent data available for this compound.