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]+ 381.17845 191.4
[M+Na]+ 403.16039 196.6
[M-H]- 379.16389 191.0
[M+NH4]+ 398.20499 201.0
[M+K]+ 419.13433 191.4
[M+H-H2O]+ 363.16843 178.9
[M+HCOO]- 425.16937 200.0
[M+CH3COO]- 439.18502 219.5
[M+Na-2H]- 401.14584 190.8
[M]+ 380.17062 186.0
[M]- 380.17172 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.