CID 59464319

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

Structural Information

Molecular Formula
C13H21N5O2
SMILES
CC(C)(C)OC(=O)N1CCN(CC1)C2=NC=C(C=N2)N
InChI
InChI=1S/C13H21N5O2/c1-13(2,3)20-12(19)18-6-4-17(5-7-18)11-15-8-10(14)9-16-11/h8-9H,4-7,14H2,1-3H3
InChIKey
UOFXCDLVMBOPFE-UHFFFAOYSA-N
Compound name
tert-butyl 4-(5-aminopyrimidin-2-yl)piperazine-1-carboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

103
Patents

279.16953 Da
Monoisotopic Mass

0.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 280.176806 169.9
[M+Na]+ 302.158748 175.5
[M-H]- 278.162254 170.3
[M+NH4]+ 297.203353 179.8
[M+K]+ 318.132688 172.6
[M+H-H2O]+ 262.166790 159.9
[M+HCOO]- 324.167731 183.3
[M+CH3COO]- 338.183381 200.4
[M+Na-2H]- 300.144196 173.2
[M]+ 279.16898142 166.2
[M]- 279.17007858 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