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 180.0
[M+Na]+ 344.19445 183.6
[M-H]- 320.19795 182.4
[M+NH4]+ 339.23905 190.8
[M+K]+ 360.16839 181.1
[M+H-H2O]+ 304.20249 170.6
[M+HCOO]- 366.20343 195.0
[M+CH3COO]- 380.21908 208.7
[M+Na-2H]- 342.17990 181.4
[M]+ 321.20468 178.2
[M]- 321.20578 178.2
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.