CID 4187046

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

Structural Information

Molecular Formula
C19H21F2N3O
SMILES
C1CN(CCN1CC(=O)NCC2=CC=C(C=C2)F)C3=CC=C(C=C3)F
InChI
InChI=1S/C19H21F2N3O/c20-16-3-1-15(2-4-16)13-22-19(25)14-23-9-11-24(12-10-23)18-7-5-17(21)6-8-18/h1-8H,9-14H2,(H,22,25)
InChIKey
FGIKBSTUEUBVSJ-UHFFFAOYSA-N
Compound name
N-[(4-fluorophenyl)methyl]-2-[4-(4-fluorophenyl)piperazin-1-yl]acetamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

6
References

0
Patents

345.16528 Da
Monoisotopic Mass

2.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 346.17256 182.2
[M+Na]+ 368.15450 186.9
[M-H]- 344.15800 185.4
[M+NH4]+ 363.19910 191.6
[M+K]+ 384.12844 180.6
[M+H-H2O]+ 328.16254 169.2
[M+HCOO]- 390.16348 197.4
[M+CH3COO]- 404.17913 214.4
[M+Na-2H]- 366.13995 183.0
[M]+ 345.16473 175.4
[M]- 345.16583 175.4
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.