CID 59636427

Tert-butyl (3r)-3-{6-bromo-1h-imidazo[4,5-c]pyridin-1-yl}piperidine-1-carboxylate

Structural Information

Molecular Formula
C16H21BrN4O2
SMILES
CC(C)(C)OC(=O)N1CCC[C@H](C1)N2C=NC3=CN=C(C=C32)Br
InChI
InChI=1S/C16H21BrN4O2/c1-16(2,3)23-15(22)20-6-4-5-11(9-20)21-10-19-12-8-18-14(17)7-13(12)21/h7-8,10-11H,4-6,9H2,1-3H3/t11-/m1/s1
InChIKey
FJZMZPHJZATQLT-LLVKDONJSA-N
Compound name
tert-butyl (3R)-3-(6-bromoimidazo[4,5-c]pyridin-1-yl)piperidine-1-carboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

5
Patents

380.08478 Da
Monoisotopic Mass

2.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 381.09206 183.8
[M+Na]+ 403.07400 186.2
[M+NH4]+ 398.11860 186.2
[M+K]+ 419.04794 188.4
[M-H]- 379.07750 182.9
[M+Na-2H]- 401.05945 185.0
[M]+ 380.08423 182.6
[M]- 380.08533 182.6
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

patents stripe