CID 3049828

65274-60-4

Structural Information

Molecular Formula
C20H29F3N4O
SMILES
CCC(=O)N1CCN(CC1)CCN2CCN(CC2)C3=CC=CC(=C3)C(F)(F)F
InChI
InChI=1S/C20H29F3N4O/c1-2-19(28)27-14-10-25(11-15-27)7-6-24-8-12-26(13-9-24)18-5-3-4-17(16-18)20(21,22)23/h3-5,16H,2,6-15H2,1H3
InChIKey
FOUGRIHXXSNRCI-UHFFFAOYSA-N
Compound name
1-[4-[2-[4-[3-(trifluoromethyl)phenyl]piperazin-1-yl]ethyl]piperazin-1-yl]propan-1-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

398.22934 Da
Monoisotopic Mass

2.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 399.23662 201.0
[M+Na]+ 421.21856 203.4
[M-H]- 397.22206 198.9
[M+NH4]+ 416.26316 205.5
[M+K]+ 437.19250 197.1
[M+H-H2O]+ 381.22660 185.8
[M+HCOO]- 443.22754 204.8
[M+CH3COO]- 457.24319 221.4
[M+Na-2H]- 419.20401 197.6
[M]+ 398.22879 190.1
[M]- 398.22989 190.1
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.