CID 310447

2-methyl-1-(n-(3-trifluoromethylphenyl)carbamoyl)piperidine

Structural Information

Molecular Formula
C14H17F3N2O
SMILES
CC1CCCCN1C(=O)NC2=CC=CC(=C2)C(F)(F)F
InChI
InChI=1S/C14H17F3N2O/c1-10-5-2-3-8-19(10)13(20)18-12-7-4-6-11(9-12)14(15,16)17/h4,6-7,9-10H,2-3,5,8H2,1H3,(H,18,20)
InChIKey
FTAFLBKRGAGUJN-UHFFFAOYSA-N
Compound name
2-methyl-N-[3-(trifluoromethyl)phenyl]piperidine-1-carboxamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

8
References

0
Patents

286.1293 Da
Monoisotopic Mass

3.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 287.13658 164.4
[M+Na]+ 309.11852 169.8
[M-H]- 285.12202 165.1
[M+NH4]+ 304.16312 178.3
[M+K]+ 325.09246 165.8
[M+H-H2O]+ 269.12656 153.8
[M+HCOO]- 331.12750 178.8
[M+CH3COO]- 345.14315 201.4
[M+Na-2H]- 307.10397 166.1
[M]+ 286.12875 155.7
[M]- 286.12985 155.7
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

No patent data available for this compound.