CID 49839965

Tert-butyl 4-(5-aminopyrazin-2-yl)piperazine-1-carboxylate

Structural Information

Molecular Formula
C13H21N5O2
SMILES
CC(C)(C)OC(=O)N1CCN(CC1)C2=NC=C(N=C2)N
InChI
InChI=1S/C13H21N5O2/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,(H2,14,15)
InChIKey
DSRMFAMWADHBSB-UHFFFAOYSA-N
Compound name
tert-butyl 4-(5-aminopyrazin-2-yl)piperazine-1-carboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

132
Patents

279.16953 Da
Monoisotopic Mass

0.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 280.17681 169.9
[M+Na]+ 302.15875 175.5
[M-H]- 278.16225 170.3
[M+NH4]+ 297.20335 179.8
[M+K]+ 318.13269 172.6
[M+H-H2O]+ 262.16679 159.9
[M+HCOO]- 324.16773 183.3
[M+CH3COO]- 338.18338 200.4
[M+Na-2H]- 300.14420 173.2
[M]+ 279.16898 166.2
[M]- 279.17008 166.2
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