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 183.2
[M+Na]+ 403.07400 193.9
[M-H]- 379.07750 188.3
[M+NH4]+ 398.11860 196.8
[M+K]+ 419.04794 182.7
[M+H-H2O]+ 363.08204 180.8
[M+HCOO]- 425.08298 195.4
[M+CH3COO]- 439.09863 211.6
[M+Na-2H]- 401.05945 186.9
[M]+ 380.08423 202.2
[M]- 380.08533 202.2
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