CID 6900545

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

Structural Information

Molecular Formula
C19H21BrFN3
SMILES
CC1=CC=C(C=C1)CN2CCN(CC2)/N=C/C3=C(C=CC(=C3)Br)F
InChI
InChI=1S/C19H21BrFN3/c1-15-2-4-16(5-3-15)14-23-8-10-24(11-9-23)22-13-17-12-18(20)6-7-19(17)21/h2-7,12-13H,8-11,14H2,1H3/b22-13+
InChIKey
KIQPMMWFSVTJNX-LPYMAVHISA-N
Compound name
(E)-1-(5-bromo-2-fluorophenyl)-N-[4-[(4-methylphenyl)methyl]piperazin-1-yl]methanimine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

6
References

0
Patents

389.0903 Da
Monoisotopic Mass

4.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 390.09758 187.5
[M+Na]+ 412.07952 192.0
[M+NH4]+ 407.12412 191.5
[M+K]+ 428.05346 188.7
[M-H]- 388.08302 190.9
[M+Na-2H]- 410.06497 192.4
[M]+ 389.08975 188.0
[M]- 389.09085 188.0
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.