CID 38070

Acetamide, n-methyl-n-(4-piperidinophenethyl)-2,2,2-trifluoro-, hydrochloride

Structural Information

Molecular Formula
C16H21F3N2O
SMILES
CN(CCC1=CC=C(C=C1)N2CCCCC2)C(=O)C(F)(F)F
InChI
InChI=1S/C16H21F3N2O/c1-20(15(22)16(17,18)19)12-9-13-5-7-14(8-6-13)21-10-3-2-4-11-21/h5-8H,2-4,9-12H2,1H3
InChIKey
KMHHRUSFINJQRH-UHFFFAOYSA-N
Compound name
2,2,2-trifluoro-N-methyl-N-[2-(4-piperidin-1-ylphenyl)ethyl]acetamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

314.16058 Da
Monoisotopic Mass

3.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 315.16786 174.9
[M+Na]+ 337.14980 182.0
[M+NH4]+ 332.19440 179.6
[M+K]+ 353.12374 176.6
[M-H]- 313.15330 173.4
[M+Na-2H]- 335.13525 178.6
[M]+ 314.16003 175.0
[M]- 314.16113 175.0
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.