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 186.4
[M+Na]+ 412.07952 195.3
[M-H]- 388.08302 194.8
[M+NH4]+ 407.12412 199.4
[M+K]+ 428.05346 181.6
[M+H-H2O]+ 372.08756 181.3
[M+HCOO]- 434.08850 202.7
[M+CH3COO]- 448.10415 197.2
[M+Na-2H]- 410.06497 189.3
[M]+ 389.08975 201.0
[M]- 389.09085 201.0
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.