CID 3049825

1-piperazineethanol, 4-(2-(4-(3-(trifluoromethyl)phenyl)-1-piperazinyl)ethyl)-

Structural Information

Molecular Formula
C19H29F3N4O
SMILES
C1CN(CCN1CCN2CCN(CC2)C3=CC=CC(=C3)C(F)(F)F)CCO
InChI
InChI=1S/C19H29F3N4O/c20-19(21,22)17-2-1-3-18(16-17)26-12-10-24(11-13-26)5-4-23-6-8-25(9-7-23)14-15-27/h1-3,16,27H,4-15H2
InChIKey
AVGDUUNULFIEHM-UHFFFAOYSA-N
Compound name
2-[4-[2-[4-[3-(trifluoromethyl)phenyl]piperazin-1-yl]ethyl]piperazin-1-yl]ethanol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

386.22934 Da
Monoisotopic Mass

1.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 387.23662 195.5
[M+Na]+ 409.21856 202.7
[M+NH4]+ 404.26316 198.6
[M+K]+ 425.19250 196.9
[M-H]- 385.22206 193.3
[M+Na-2H]- 407.20401 197.9
[M]+ 386.22879 195.4
[M]- 386.22989 195.4
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.