CID 725896

N-(3-chloro-4-fluorophenyl)-2-(4-phenylpiperazin-1-yl)acetamide

Structural Information

Molecular Formula
C18H19ClFN3O
SMILES
C1CN(CCN1CC(=O)NC2=CC(=C(C=C2)F)Cl)C3=CC=CC=C3
InChI
InChI=1S/C18H19ClFN3O/c19-16-12-14(6-7-17(16)20)21-18(24)13-22-8-10-23(11-9-22)15-4-2-1-3-5-15/h1-7,12H,8-11,13H2,(H,21,24)
InChIKey
NWQONDJVBAUOMR-UHFFFAOYSA-N
Compound name
N-(3-chloro-4-fluorophenyl)-2-(4-phenylpiperazin-1-yl)acetamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

347.12006 Da
Monoisotopic Mass

3.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 348.12734 180.7
[M+Na]+ 370.10928 194.3
[M+NH4]+ 365.15388 187.9
[M+K]+ 386.08322 185.7
[M-H]- 346.11278 185.1
[M+Na-2H]- 368.09473 189.1
[M]+ 347.11951 184.0
[M]- 347.12061 184.0
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.