CID 4194789

(4-bromo-benzylidene)-(2-(3,4-dimethoxy-phenyl)-ethyl)-amine

Structural Information

Molecular Formula
C17H18BrNO2
SMILES
COC1=C(C=C(C=C1)CCN=CC2=CC=C(C=C2)Br)OC
InChI
InChI=1S/C17H18BrNO2/c1-20-16-8-5-13(11-17(16)21-2)9-10-19-12-14-3-6-15(18)7-4-14/h3-8,11-12H,9-10H2,1-2H3
InChIKey
WLKBJRRHFQIRIJ-UHFFFAOYSA-N
Compound name
1-(4-bromophenyl)-N-[2-(3,4-dimethoxyphenyl)ethyl]methanimine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

347.0521 Da
Monoisotopic Mass

3.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 348.059376 172.4
[M+Na]+ 370.041318 182.8
[M-H]- 346.044824 182.5
[M+NH4]+ 365.085923 190.0
[M+K]+ 386.015258 171.2
[M+H-H2O]+ 330.049360 169.9
[M+HCOO]- 392.050301 196.0
[M+CH3COO]- 406.065951 212.8
[M+Na-2H]- 368.026766 178.1
[M]+ 347.05155142 195.0
[M]- 347.05264858 195.0
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.