CID 104933481

1692150-56-3

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

m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Å²) per adduct calculated using CCSbase.
Adduct	m/z	Predicted CCS (Å²)
[M+H]+	322.212506	180.0
[M+Na]+	344.194448	183.6
[M-H]-	320.197954	182.4
[M+NH4]+	339.239053	190.8
[M+K]+	360.168388	181.1
[M+H-H2O]+	304.202490	170.6
[M+HCOO]-	366.203431	195.0
[M+CH3COO]-	380.219081	208.7
[M+Na-2H]-	342.179896	181.4
[M]+	321.20468142	178.2
[M]-	321.20577858	178.2

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.