CID 43462405

1023298-54-5

Structural Information

Molecular Formula
C14H22N4O2
SMILES
CC(C)(C)OC(=O)N1CCN(CC1)C2=C(C=NC=C2)N
InChI
InChI=1S/C14H22N4O2/c1-14(2,3)20-13(19)18-8-6-17(7-9-18)12-4-5-16-10-11(12)15/h4-5,10H,6-9,15H2,1-3H3
InChIKey
SSZANZXFYGCOGL-UHFFFAOYSA-N
Compound name
tert-butyl 4-(3-amino-4-pyridinyl)piperazine-1-carboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

116
Patents

278.1743 Da
Monoisotopic Mass

1.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 279.181576 169.1
[M+Na]+ 301.163518 174.2
[M-H]- 277.167024 170.7
[M+NH4]+ 296.208123 180.4
[M+K]+ 317.137458 171.4
[M+H-H2O]+ 261.171560 159.7
[M+HCOO]- 323.172501 183.6
[M+CH3COO]- 337.188151 200.4
[M+Na-2H]- 299.148966 171.9
[M]+ 278.17375142 165.3
[M]- 278.17484858 165.3
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