CID 200401

Brn 0565628

Structural Information

Molecular Formula
C19H24FN3O
SMILES
C1CN(CCN1CCCCOC2=CC=C(C=C2)F)C3=CC=CC=N3
InChI
InChI=1S/C19H24FN3O/c20-17-6-8-18(9-7-17)24-16-4-3-11-22-12-14-23(15-13-22)19-5-1-2-10-21-19/h1-2,5-10H,3-4,11-16H2
InChIKey
LHLJXEXVGJGMIN-UHFFFAOYSA-N
Compound name
1-[4-(4-fluorophenoxy)butyl]-4-pyridin-2-ylpiperazine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

329.19034 Da
Monoisotopic Mass

4.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 330.19762 180.8
[M+Na]+ 352.17956 185.1
[M-H]- 328.18306 183.2
[M+NH4]+ 347.22416 189.5
[M+K]+ 368.15350 179.0
[M+H-H2O]+ 312.18760 167.4
[M+HCOO]- 374.18854 195.2
[M+CH3COO]- 388.20419 188.5
[M+Na-2H]- 350.16501 183.3
[M]+ 329.18979 176.9
[M]- 329.19089 176.9
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.