CID 6447868

4-methyl-1-(4-trifluoromethylcinnamoyl)piperidine

Structural Information

Molecular Formula
C16H18F3NO
SMILES
CC1CCN(CC1)C(=O)/C=C/C2=CC=C(C=C2)C(F)(F)F
InChI
InChI=1S/C16H18F3NO/c1-12-8-10-20(11-9-12)15(21)7-4-13-2-5-14(6-3-13)16(17,18)19/h2-7,12H,8-11H2,1H3/b7-4+
InChIKey
AJBBFQVZSXETHQ-QPJJXVBHSA-N
Compound name
(E)-1-(4-methylpiperidin-1-yl)-3-[4-(trifluoromethyl)phenyl]prop-2-en-1-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

3
Patents

297.13406 Da
Monoisotopic Mass

4.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 298.14134 174.0
[M+Na]+ 320.12328 182.5
[M+NH4]+ 315.16788 178.8
[M+K]+ 336.09722 176.2
[M-H]- 296.12678 171.9
[M+Na-2H]- 318.10873 177.3
[M]+ 297.13351 174.3
[M]- 297.13461 174.3
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

patents stripe