CID 22293220

Tert-butyl 4-(2-oxo-2,3-dihydro-1h-imidazo[4,5-b]pyridin-1-yl)piperidine-1-carboxylate

Structural Information

Molecular Formula
C16H22N4O3
SMILES
CC(C)(C)OC(=O)N1CCC(CC1)N2C3=C(NC2=O)N=CC=C3
InChI
InChI=1S/C16H22N4O3/c1-16(2,3)23-15(22)19-9-6-11(7-10-19)20-12-5-4-8-17-13(12)18-14(20)21/h4-5,8,11H,6-7,9-10H2,1-3H3,(H,17,18,21)
InChIKey
ZLMQZSUGKKTLJZ-UHFFFAOYSA-N
Compound name
tert-butyl 4-(2-oxo-3H-imidazo[4,5-b]pyridin-1-yl)piperidine-1-carboxylate
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

97
Patents

318.1692 Da
Monoisotopic Mass

1.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 319.176476 177.6
[M+Na]+ 341.158418 185.3
[M-H]- 317.161924 178.8
[M+NH4]+ 336.203023 188.7
[M+K]+ 357.132358 180.9
[M+H-H2O]+ 301.166460 168.3
[M+HCOO]- 363.167401 190.3
[M+CH3COO]- 377.183051 202.4
[M+Na-2H]- 339.143866 179.9
[M]+ 318.16865142 176.9
[M]- 318.16974858 176.9
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