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]+ 348.05938 172.4
[M+Na]+ 370.04132 182.8
[M-H]- 346.04482 182.5
[M+NH4]+ 365.08592 190.0
[M+K]+ 386.01526 171.2
[M+H-H2O]+ 330.04936 169.9
[M+HCOO]- 392.05030 196.0
[M+CH3COO]- 406.06595 212.8
[M+Na-2H]- 368.02677 178.1
[M]+ 347.05155 195.0
[M]- 347.05265 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.