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 198.1
[M+Na]+ 409.21856 200.5
[M-H]- 385.22206 194.7
[M+NH4]+ 404.26316 202.5
[M+K]+ 425.19250 193.6
[M+H-H2O]+ 369.22660 183.1
[M+HCOO]- 431.22754 201.6
[M+CH3COO]- 445.24319 216.6
[M+Na-2H]- 407.20401 195.9
[M]+ 386.22879 186.5
[M]- 386.22989 186.5
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.