CID 21069280

622386-08-7

Structural Information

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

2D Structure

compound 2d structure
1
Annotation Hits

0
References

152
Patents

342.06915 Da
Monoisotopic Mass

1.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 343.07643 170.8
[M+Na]+ 365.05837 180.0
[M-H]- 341.06187 174.4
[M+NH4]+ 360.10297 183.0
[M+K]+ 381.03231 169.3
[M+H-H2O]+ 325.06641 168.1
[M+HCOO]- 387.06735 182.1
[M+CH3COO]- 401.08300 204.8
[M+Na-2H]- 363.04382 176.0
[M]+ 342.06860 187.7
[M]- 342.06970 187.7
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