CID 5347538

N-(5-bromo-2-fluorobenzylidene)-4-(2-methoxyphenyl)-1-piperazinamine

Structural Information

Molecular Formula
C18H19BrFN3O
SMILES
COC1=CC=CC=C1N2CCN(CC2)/N=C/C3=C(C=CC(=C3)Br)F
InChI
InChI=1S/C18H19BrFN3O/c1-24-18-5-3-2-4-17(18)22-8-10-23(11-9-22)21-13-14-12-15(19)6-7-16(14)20/h2-7,12-13H,8-11H2,1H3/b21-13+
InChIKey
DWNZSZMQEIFJGW-FYJGNVAPSA-N
Compound name
(E)-1-(5-bromo-2-fluorophenyl)-N-[4-(2-methoxyphenyl)piperazin-1-yl]methanimine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

6
References

0
Patents

391.06955 Da
Monoisotopic Mass

4.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 392.07683 186.4
[M+Na]+ 414.05877 190.6
[M+NH4]+ 409.10337 190.0
[M+K]+ 430.03271 188.0
[M-H]- 390.06227 189.4
[M+Na-2H]- 412.04422 191.1
[M]+ 391.06900 186.6
[M]- 391.07010 186.6
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

No patent data available for this compound.