CID 71773071

Refchem:899597

Structural Information

Molecular Formula

C₁₃H₁₃F₃N₄O₂

SMILES

C1CN(CCC1N2C=NC3=C2C=CC=N3)C(=O)OC(F)(F)F

InChI

InChI=1S/C13H13F3N4O2/c14-13(15,16)22-12(21)19-6-3-9(4-7-19)20-8-18-11-10(20)2-1-5-17-11/h1-2,5,8-9H,3-4,6-7H2

InChIKey

IKAKGTQYFRQIRW-UHFFFAOYSA-N

Compound name

trifluoromethyl 4-imidazo[4,5-b]pyridin-1-ylpiperidine-1-carboxylate

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 0
Patents: 314.09906 Da
Monoisotopic Mass: 2.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Å²) per adduct calculated using CCSbase.
Adduct	m/z	Predicted CCS (Å²)
[M+H]+	315.106336	168.9
[M+Na]+	337.088278	177.5
[M-H]-	313.091784	167.3
[M+NH4]+	332.132883	180.4
[M+K]+	353.062218	173.0
[M+H-H2O]+	297.096320	156.5
[M+HCOO]-	359.097261	180.5
[M+CH3COO]-	373.112911	201.3
[M+Na-2H]-	335.073726	171.9
[M]+	314.09851142	164.6
[M]-	314.09960858	164.6

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.