CID 37819064

Tert-butyl 3-bromo-5h,6h,7h,8h-imidazo[1,2-a]pyrazine-7-carboxylate

Structural Information

Molecular Formula
C11H16BrN3O2
SMILES
CC(C)(C)OC(=O)N1CCN2C(=NC=C2Br)C1
InChI
InChI=1S/C11H16BrN3O2/c1-11(2,3)17-10(16)14-4-5-15-8(12)6-13-9(15)7-14/h6H,4-5,7H2,1-3H3
InChIKey
YTGNTPFZMKDHEY-UHFFFAOYSA-N
Compound name
tert-butyl 3-bromo-6,8-dihydro-5H-imidazo[1,2-a]pyrazine-7-carboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

142
Patents

301.0426 Da
Monoisotopic Mass

1.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 302.04988 163.3
[M+Na]+ 324.03182 174.6
[M-H]- 300.03532 166.7
[M+NH4]+ 319.07642 181.6
[M+K]+ 340.00576 164.6
[M+H-H2O]+ 284.03986 162.6
[M+HCOO]- 346.04080 177.2
[M+CH3COO]- 360.05645 197.8
[M+Na-2H]- 322.01727 168.2
[M]+ 301.04205 182.4
[M]- 301.04315 182.4
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