CID 6878328

4-(4-chlorobenzyl)-n-(3-fluorobenzylidene)-1-piperazinamine

Structural Information

Molecular Formula
C18H19ClFN3
SMILES
C1CN(CCN1CC2=CC=C(C=C2)Cl)/N=C/C3=CC(=CC=C3)F
InChI
InChI=1S/C18H19ClFN3/c19-17-6-4-15(5-7-17)14-22-8-10-23(11-9-22)21-13-16-2-1-3-18(20)12-16/h1-7,12-13H,8-11,14H2/b21-13+
InChIKey
WNRTZOXSXMYCLL-FYJGNVAPSA-N
Compound name
(E)-N-[4-[(4-chlorophenyl)methyl]piperazin-1-yl]-1-(3-fluorophenyl)methanimine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

331.12515 Da
Monoisotopic Mass

4.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 332.13243 178.4
[M+Na]+ 354.11437 184.9
[M-H]- 330.11787 183.9
[M+NH4]+ 349.15897 190.1
[M+K]+ 370.08831 177.5
[M+H-H2O]+ 314.12241 166.3
[M+HCOO]- 376.12335 192.5
[M+CH3COO]- 390.13900 187.6
[M+Na-2H]- 352.09982 181.1
[M]+ 331.12460 175.5
[M]- 331.12570 175.5
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.