CID 725896

303091-00-1

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 180.6
[M+Na]+ 370.10928 186.4
[M-H]- 346.11278 185.1
[M+NH4]+ 365.15388 190.9
[M+K]+ 386.08322 179.3
[M+H-H2O]+ 330.11732 169.2
[M+HCOO]- 392.11826 192.6
[M+CH3COO]- 406.13391 189.1
[M+Na-2H]- 368.09473 182.1
[M]+ 347.11951 176.9
[M]- 347.12061 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

literature stripe

Patent stripe

No patent data available for this compound.