CID 3049826

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

Structural Information

Molecular Formula
C20H31F3N4O
SMILES
C1CN(CCN1CCCO)CCN2CCN(CC2)C3=CC=CC(=C3)C(F)(F)F
InChI
InChI=1S/C20H31F3N4O/c21-20(22,23)18-3-1-4-19(17-18)27-14-12-26(13-15-27)11-10-25-8-6-24(7-9-25)5-2-16-28/h1,3-4,17,28H,2,5-16H2
InChIKey
AFJNBUOQDJATHY-UHFFFAOYSA-N
Compound name
3-[4-[2-[4-[3-(trifluoromethyl)phenyl]piperazin-1-yl]ethyl]piperazin-1-yl]propan-1-ol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

400.245 Da
Monoisotopic Mass

2.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 401.25228 199.6
[M+Na]+ 423.23422 206.5
[M+NH4]+ 418.27882 202.5
[M+K]+ 439.20816 200.5
[M-H]- 399.23772 197.3
[M+Na-2H]- 421.21967 201.7
[M]+ 400.24445 199.4
[M]- 400.24555 199.4
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.