CID 979083

2-[4-(4-fluorophenyl)piperazin-1-yl]-n-(4-phenoxyphenyl)acetamide

Structural Information

Molecular Formula
C24H24FN3O2
SMILES
C1CN(CCN1CC(=O)NC2=CC=C(C=C2)OC3=CC=CC=C3)C4=CC=C(C=C4)F
InChI
InChI=1S/C24H24FN3O2/c25-19-6-10-21(11-7-19)28-16-14-27(15-17-28)18-24(29)26-20-8-12-23(13-9-20)30-22-4-2-1-3-5-22/h1-13H,14-18H2,(H,26,29)
InChIKey
HIKYXSNYPKKEAS-UHFFFAOYSA-N
Compound name
2-[4-(4-fluorophenyl)piperazin-1-yl]-N-(4-phenoxyphenyl)acetamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

405.18524 Da
Monoisotopic Mass

4.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 406.19252 198.1
[M+Na]+ 428.17446 201.3
[M-H]- 404.17796 205.1
[M+NH4]+ 423.21906 204.1
[M+K]+ 444.14840 194.5
[M+H-H2O]+ 388.18250 183.9
[M+HCOO]- 450.18344 213.8
[M+CH3COO]- 464.19909 204.8
[M+Na-2H]- 426.15991 199.4
[M]+ 405.18469 192.5
[M]- 405.18579 192.5
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.