CID 22293220

781649-87-4

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 174.2
[M+Na]+ 341.15842 185.4
[M+NH4]+ 336.20302 179.0
[M+K]+ 357.13236 183.0
[M-H]- 317.16192 173.6
[M+Na-2H]- 339.14387 178.1
[M]+ 318.16865 175.3
[M]- 318.16975 175.3
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