CID 66545194

1350807-20-3

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

5
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 179.5
[M+Na]+ 358.17372 189.2
[M+NH4]+ 353.21832 183.6
[M+K]+ 374.14766 185.6
[M-H]- 334.17722 178.9
[M+Na-2H]- 356.15917 183.3
[M]+ 335.18395 180.3
[M]- 335.18505 180.3
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