CID 21914476

374930-88-8

Structural Information

Molecular Formula
C13H19BrN4O2
SMILES
CC(C)(C)OC(=O)N1CCN(CC1)C2=NC=C(C=N2)Br
InChI
InChI=1S/C13H19BrN4O2/c1-13(2,3)20-12(19)18-6-4-17(5-7-18)11-15-8-10(14)9-16-11/h8-9H,4-7H2,1-3H3
InChIKey
UKCBGXCNXOKVTF-UHFFFAOYSA-N
Compound name
tert-butyl 4-(5-bromopyrimidin-2-yl)piperazine-1-carboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

424
Patents

342.06915 Da
Monoisotopic Mass

2.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 343.07643 171.0
[M+Na]+ 365.05837 173.0
[M+NH4]+ 360.10297 173.0
[M+K]+ 381.03231 174.4
[M-H]- 341.06187 169.7
[M+Na-2H]- 363.04382 173.1
[M]+ 342.06860 169.6
[M]- 342.06970 169.6
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