CID 104933481

Tert-butyl 4-[2-(2-aminophenoxy)ethyl]piperazine-1-carboxylate

Structural Information

Molecular Formula
C17H27N3O3
SMILES
CC(C)(C)OC(=O)N1CCN(CC1)CCOC2=CC=CC=C2N
InChI
InChI=1S/C17H27N3O3/c1-17(2,3)23-16(21)20-10-8-19(9-11-20)12-13-22-15-7-5-4-6-14(15)18/h4-7H,8-13,18H2,1-3H3
InChIKey
VGLLYWFJJPDFMJ-UHFFFAOYSA-N
Compound name
tert-butyl 4-[2-(2-aminophenoxy)ethyl]piperazine-1-carboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

321.20523 Da
Monoisotopic Mass

1.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 322.21251 178.3
[M+Na]+ 344.19445 187.5
[M+NH4]+ 339.23905 183.5
[M+K]+ 360.16839 182.9
[M-H]- 320.19795 179.6
[M+Na-2H]- 342.17990 182.6
[M]+ 321.20468 179.6
[M]- 321.20578 179.6
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

No patent data available for this compound.