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 195.8
[M+Na]+ 432.15054 200.1
[M-H]- 408.15404 197.8
[M+NH4]+ 427.19514 202.4
[M+K]+ 448.12448 195.2
[M+H-H2O]+ 392.15858 181.9
[M+HCOO]- 454.15952 208.2
[M+CH3COO]- 468.17517 224.1
[M+Na-2H]- 430.13599 196.6
[M]+ 409.16077 190.4
[M]- 409.16187 190.4
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.