CID 3053361

69838-57-9

Structural Information

Molecular Formula
C26H26F3N3O2
SMILES
C1CN(CCN1CCOC(=O)C2=CC=CC=C2NC3=CC=CC(=C3)C(F)(F)F)C4=CC=CC=C4
InChI
InChI=1S/C26H26F3N3O2/c27-26(28,29)20-7-6-8-21(19-20)30-24-12-5-4-11-23(24)25(33)34-18-17-31-13-15-32(16-14-31)22-9-2-1-3-10-22/h1-12,19,30H,13-18H2
InChIKey
ROICIQOKAAEXMM-UHFFFAOYSA-N
Compound name
2-(4-phenylpiperazin-1-yl)ethyl 2-[3-(trifluoromethyl)anilino]benzoate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

469.19772 Da
Monoisotopic Mass

7.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 470.20500 213.6
[M+Na]+ 492.18694 216.5
[M-H]- 468.19044 217.8
[M+NH4]+ 487.23154 217.0
[M+K]+ 508.16088 209.0
[M+H-H2O]+ 452.19498 197.6
[M+HCOO]- 514.19592 224.7
[M+CH3COO]- 528.21157 235.5
[M+Na-2H]- 490.17239 213.5
[M]+ 469.19717 206.1
[M]- 469.19827 206.1
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.