CID 2062139

2-[4-(4-methoxyphenyl)piperazin-1-yl]-n-[4-(trifluoromethoxy)phenyl]acetamide

Structural Information

Molecular Formula
C20H22F3N3O3
SMILES
COC1=CC=C(C=C1)N2CCN(CC2)CC(=O)NC3=CC=C(C=C3)OC(F)(F)F
InChI
InChI=1S/C20H22F3N3O3/c1-28-17-8-4-16(5-9-17)26-12-10-25(11-13-26)14-19(27)24-15-2-6-18(7-3-15)29-20(21,22)23/h2-9H,10-14H2,1H3,(H,24,27)
InChIKey
SSAGTXKWHVQJRO-UHFFFAOYSA-N
Compound name
2-[4-(4-methoxyphenyl)piperazin-1-yl]-N-[4-(trifluoromethoxy)phenyl]acetamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

409.16132 Da
Monoisotopic Mass

3.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 410.16860 194.9
[M+Na]+ 432.15054 203.0
[M+NH4]+ 427.19514 198.0
[M+K]+ 448.12448 197.8
[M-H]- 408.15404 194.1
[M+Na-2H]- 430.13599 199.6
[M]+ 409.16077 195.3
[M]- 409.16187 195.3
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.