CID 6890564

303092-64-0

Structural Information

Molecular Formula
C18H20FN3
SMILES
C1CN(CCN1CC2=CC=CC=C2)/N=C/C3=CC(=CC=C3)F
InChI
InChI=1S/C18H20FN3/c19-18-8-4-7-17(13-18)14-20-22-11-9-21(10-12-22)15-16-5-2-1-3-6-16/h1-8,13-14H,9-12,15H2/b20-14+
InChIKey
LKKHGYMEPCPXLN-XSFVSMFZSA-N
Compound name
(E)-N-(4-benzylpiperazin-1-yl)-1-(3-fluorophenyl)methanimine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

297.16412 Da
Monoisotopic Mass

3.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 298.171396 171.0
[M+Na]+ 320.153338 175.9
[M-H]- 296.156844 176.5
[M+NH4]+ 315.197943 182.9
[M+K]+ 336.127278 170.0
[M+H-H2O]+ 280.161380 158.5
[M+HCOO]- 342.162321 189.8
[M+CH3COO]- 356.177971 180.4
[M+Na-2H]- 318.138786 175.1
[M]+ 297.16357142 165.4
[M]- 297.16466858 165.4
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.