CID 4625542

N-(2,3,4,5,6-pentafluorophenyl)-2-(4-phenylpiperazin-1-yl)acetamide

Structural Information

Molecular Formula
C18H16F5N3O
SMILES
C1CN(CCN1CC(=O)NC2=C(C(=C(C(=C2F)F)F)F)F)C3=CC=CC=C3
InChI
InChI=1S/C18H16F5N3O/c19-13-14(20)16(22)18(17(23)15(13)21)24-12(27)10-25-6-8-26(9-7-25)11-4-2-1-3-5-11/h1-5H,6-10H2,(H,24,27)
InChIKey
CMEDGNJECAQVMR-UHFFFAOYSA-N
Compound name
N-(2,3,4,5,6-pentafluorophenyl)-2-(4-phenylpiperazin-1-yl)acetamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

385.12134 Da
Monoisotopic Mass

3.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 386.12862 189.1
[M+Na]+ 408.11056 197.3
[M-H]- 384.11406 189.5
[M+NH4]+ 403.15516 197.6
[M+K]+ 424.08450 189.7
[M+H-H2O]+ 368.11860 174.0
[M+HCOO]- 430.11954 201.2
[M+CH3COO]- 444.13519 223.3
[M+Na-2H]- 406.09601 186.1
[M]+ 385.12079 179.9
[M]- 385.12189 179.9
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.