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]+ 346.172556 182.2
[M+Na]+ 368.154498 186.9
[M-H]- 344.158004 185.4
[M+NH4]+ 363.199103 191.6
[M+K]+ 384.128438 180.6
[M+H-H2O]+ 328.162540 169.2
[M+HCOO]- 390.163481 197.4
[M+CH3COO]- 404.179131 214.4
[M+Na-2H]- 366.139946 183.0
[M]+ 345.16473142 175.4
[M]- 345.16582858 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.