CID 71773071

Trifluoromethyl 4-(1h-imidazo[4,5-b]pyridin-1-yl)piperidine-1-carboxylate

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

Adduct m/z Predicted CCS (Ų)
[M+H]+ 315.10634 168.9
[M+Na]+ 337.08828 177.5
[M-H]- 313.09178 167.3
[M+NH4]+ 332.13288 180.4
[M+K]+ 353.06222 173.0
[M+H-H2O]+ 297.09632 156.5
[M+HCOO]- 359.09726 180.5
[M+CH3COO]- 373.11291 201.3
[M+Na-2H]- 335.07373 171.9
[M]+ 314.09851 164.6
[M]- 314.09961 164.6
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.