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 183.4
[M+Na]+ 402.04642 193.2
[M-H]- 378.04992 196.1
[M+NH4]+ 397.09102 199.1
[M+K]+ 418.02036 180.4
[M+H-H2O]+ 362.05446 180.1
[M+HCOO]- 424.05540 206.6
[M+CH3COO]- 438.07105 196.4
[M+Na-2H]- 400.03187 189.1
[M]+ 379.05665 203.3
[M]- 379.05775 203.3
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.