CID 3055322

72278-80-9

Structural Information

Molecular Formula
C20H23F3N2O2
SMILES
CC(CN1CCN(CC1)C(=O)C(F)(F)F)C2=CC3=C(C=C2)C=C(C=C3)OC
InChI
InChI=1S/C20H23F3N2O2/c1-14(13-24-7-9-25(10-8-24)19(26)20(21,22)23)15-3-4-17-12-18(27-2)6-5-16(17)11-15/h3-6,11-12,14H,7-10,13H2,1-2H3
InChIKey
LWAKZHFREXVCDV-UHFFFAOYSA-N
Compound name
2,2,2-trifluoro-1-[4-[2-(6-methoxynaphthalen-2-yl)propyl]piperazin-1-yl]ethanone
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

380.17117 Da
Monoisotopic Mass

4.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 381.178446 191.4
[M+Na]+ 403.160388 196.6
[M-H]- 379.163894 191.0
[M+NH4]+ 398.204993 201.0
[M+K]+ 419.134328 191.4
[M+H-H2O]+ 363.168430 178.9
[M+HCOO]- 425.169371 200.0
[M+CH3COO]- 439.185021 219.5
[M+Na-2H]- 401.145836 190.8
[M]+ 380.17062142 186.0
[M]- 380.17171858 186.0
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.