CID 3349055

N-[(4-fluorophenyl)methyl]-2-(4-phenylpiperazin-1-yl)acetamide

Structural Information

Molecular Formula
C19H22FN3O
SMILES
C1CN(CCN1CC(=O)NCC2=CC=C(C=C2)F)C3=CC=CC=C3
InChI
InChI=1S/C19H22FN3O/c20-17-8-6-16(7-9-17)14-21-19(24)15-22-10-12-23(13-11-22)18-4-2-1-3-5-18/h1-9H,10-15H2,(H,21,24)
InChIKey
PBYUVGZTMHHJAK-UHFFFAOYSA-N
Compound name
N-[(4-fluorophenyl)methyl]-2-(4-phenylpiperazin-1-yl)acetamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

6
References

0
Patents

327.17468 Da
Monoisotopic Mass

2.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 328.18196 178.5
[M+Na]+ 350.16390 182.1
[M-H]- 326.16740 182.7
[M+NH4]+ 345.20850 188.4
[M+K]+ 366.13784 176.3
[M+H-H2O]+ 310.17194 166.2
[M+HCOO]- 372.17288 194.7
[M+CH3COO]- 386.18853 210.5
[M+Na-2H]- 348.14935 180.7
[M]+ 327.17413 172.3
[M]- 327.17523 172.3
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.