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-ethoxycarbonylpyridin-2-yl)piperazine-1-carboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

6
Patents

335.1845 Da
Monoisotopic Mass

2.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 336.19178 181.4
[M+Na]+ 358.17372 185.8
[M-H]- 334.17722 183.1
[M+NH4]+ 353.21832 190.7
[M+K]+ 374.14766 184.0
[M+H-H2O]+ 318.18176 171.7
[M+HCOO]- 380.18270 194.0
[M+CH3COO]- 394.19835 208.6
[M+Na-2H]- 356.15917 182.5
[M]+ 335.18395 181.8
[M]- 335.18505 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