CID 21934614

Tert-butyl 4-(6-aminopyrimidin-4-yl)piperazine-1-carboxylate

Structural Information

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

2D Structure

compound 2d structure
1
Annotation Hits

1
References

15
Patents

279.16953 Da
Monoisotopic Mass

1.0
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

literature stripe

Patent stripe

patents stripe