CID 4401881

N-(4-benzyloxybenzylidene)-3-bromoaniline

Structural Information

Molecular Formula
C20H16BrNO
SMILES
C1=CC=C(C=C1)COC2=CC=C(C=C2)C=NC3=CC(=CC=C3)Br
InChI
InChI=1S/C20H16BrNO/c21-18-7-4-8-19(13-18)22-14-16-9-11-20(12-10-16)23-15-17-5-2-1-3-6-17/h1-14H,15H2
InChIKey
XBMJUNAICBPTLR-UHFFFAOYSA-N
Compound name
N-(3-bromophenyl)-1-(4-phenylmethoxyphenyl)methanimine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

365.04153 Da
Monoisotopic Mass

5.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 366.04881 178.8
[M+Na]+ 388.03075 188.2
[M-H]- 364.03425 191.3
[M+NH4]+ 383.07535 194.8
[M+K]+ 404.00469 175.5
[M+H-H2O]+ 348.03879 175.7
[M+HCOO]- 410.03973 202.4
[M+CH3COO]- 424.05538 191.9
[M+Na-2H]- 386.01620 185.8
[M]+ 365.04098 198.1
[M]- 365.04208 198.1
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

No patent data available for this compound.