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
1
Annotation Hits

0
References

100
Patents

318.1692 Da
Monoisotopic Mass

1.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 319.17648 177.6
[M+Na]+ 341.15842 185.3
[M-H]- 317.16192 178.8
[M+NH4]+ 336.20302 188.7
[M+K]+ 357.13236 180.9
[M+H-H2O]+ 301.16646 168.3
[M+HCOO]- 363.16740 190.3
[M+CH3COO]- 377.18305 202.4
[M+Na-2H]- 339.14387 179.9
[M]+ 318.16865 176.9
[M]- 318.16975 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