CID 9619688

4-benzyl-n-(3-bromo-4-methoxybenzylidene)-1-piperazinamine

Structural Information

Molecular Formula
C19H22BrN3O
SMILES
COC1=C(C=C(C=C1)/C=N/N2CCN(CC2)CC3=CC=CC=C3)Br
InChI
InChI=1S/C19H22BrN3O/c1-24-19-8-7-17(13-18(19)20)14-21-23-11-9-22(10-12-23)15-16-5-3-2-4-6-16/h2-8,13-14H,9-12,15H2,1H3/b21-14+
InChIKey
MSILFLNMDJLDLV-KGENOOAVSA-N
Compound name
(E)-N-(4-benzylpiperazin-1-yl)-1-(3-bromo-4-methoxyphenyl)methanimine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

387.09464 Da
Monoisotopic Mass

4.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 388.10192 184.2
[M+Na]+ 410.08386 191.9
[M-H]- 386.08736 193.5
[M+NH4]+ 405.12846 196.9
[M+K]+ 426.05780 179.4
[M+H-H2O]+ 370.09190 179.7
[M+HCOO]- 432.09284 201.7
[M+CH3COO]- 446.10849 195.1
[M+Na-2H]- 408.06931 188.6
[M]+ 387.09409 200.6
[M]- 387.09519 200.6
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.