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]+ 328.181956 178.5
[M+Na]+ 350.163898 182.1
[M-H]- 326.167404 182.7
[M+NH4]+ 345.208503 188.4
[M+K]+ 366.137838 176.3
[M+H-H2O]+ 310.171940 166.2
[M+HCOO]- 372.172881 194.7
[M+CH3COO]- 386.188531 210.5
[M+Na-2H]- 348.149346 180.7
[M]+ 327.17413142 172.3
[M]- 327.17522858 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.