CID 66545194

Tert-butyl 4-[6-(ethoxycarbonyl)pyridin-2-yl]piperazine-1-carboxylate

Structural Information

Molecular Formula
C17H25N3O4
SMILES
CCOC(=O)C1=NC(=CC=C1)N2CCN(CC2)C(=O)OC(C)(C)C
InChI
InChI=1S/C17H25N3O4/c1-5-23-15(21)13-7-6-8-14(18-13)19-9-11-20(12-10-19)16(22)24-17(2,3)4/h6-8H,5,9-12H2,1-4H3
InChIKey
AZNAPGCOZCKSHN-UHFFFAOYSA-N
Compound name
tert-butyl 4-(6-ethoxycarbonyl-2-pyridinyl)piperazine-1-carboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

7
Patents

335.1845 Da
Monoisotopic Mass

2.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 336.191776 181.4
[M+Na]+ 358.173718 185.8
[M-H]- 334.177224 183.1
[M+NH4]+ 353.218323 190.7
[M+K]+ 374.147658 184.0
[M+H-H2O]+ 318.181760 171.7
[M+HCOO]- 380.182701 194.0
[M+CH3COO]- 394.198351 208.6
[M+Na-2H]- 356.159166 182.5
[M]+ 335.18395142 181.8
[M]- 335.18504858 181.8
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