CID 2064230

N-(2,4-difluorophenyl)-2-(4-phenyl-1-piperazinyl)acetamide

Structural Information

Molecular Formula
C18H19F2N3O
SMILES
C1CN(CCN1CC(=O)NC2=C(C=C(C=C2)F)F)C3=CC=CC=C3
InChI
InChI=1S/C18H19F2N3O/c19-14-6-7-17(16(20)12-14)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
GAQZEWHDKGEOCC-UHFFFAOYSA-N
Compound name
N-(2,4-difluorophenyl)-2-(4-phenylpiperazin-1-yl)acetamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

331.14963 Da
Monoisotopic Mass

3.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 332.15691 177.8
[M+Na]+ 354.13885 182.9
[M-H]- 330.14235 181.2
[M+NH4]+ 349.18345 187.8
[M+K]+ 370.11279 176.8
[M+H-H2O]+ 314.14689 165.0
[M+HCOO]- 376.14783 193.3
[M+CH3COO]- 390.16348 211.4
[M+Na-2H]- 352.12430 179.1
[M]+ 331.14908 170.7
[M]- 331.15018 170.7
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.