CID 16059046

4-boc-1-(6-bromo-2-pyridyl)piperazine

Structural Information

Molecular Formula
C14H20BrN3O2
SMILES
CC(C)(C)OC(=O)N1CCN(CC1)C2=NC(=CC=C2)Br
InChI
InChI=1S/C14H20BrN3O2/c1-14(2,3)20-13(19)18-9-7-17(8-10-18)12-6-4-5-11(15)16-12/h4-6H,7-10H2,1-3H3
InChIKey
CQSAPHUUCUUHNS-UHFFFAOYSA-N
Compound name
tert-butyl 4-(6-bromopyridin-2-yl)piperazine-1-carboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

114
Patents

341.07388 Da
Monoisotopic Mass

3.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 342.08116 171.9
[M+Na]+ 364.06310 180.7
[M-H]- 340.06660 176.6
[M+NH4]+ 359.10770 185.4
[M+K]+ 380.03704 170.0
[M+H-H2O]+ 324.07114 169.6
[M+HCOO]- 386.07208 184.1
[M+CH3COO]- 400.08773 204.9
[M+Na-2H]- 362.04855 176.4
[M]+ 341.07333 188.7
[M]- 341.07443 188.7
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe