CID 53433575

756526-06-4

Structural Information

Molecular Formula

C₂₃H₄₇NO₁₀

SMILES

CC(C)(C)OC(=O)CCOCCOCCOCCOCCOCCOCCOCCOCCN

InChI

InChI=1S/C23H47NO10/c1-23(2,3)34-22(25)4-6-26-8-10-28-12-14-30-16-18-32-20-21-33-19-17-31-15-13-29-11-9-27-7-5-24/h4-21,24H2,1-3H3

InChIKey

UMJVFHNJPJVDSB-UHFFFAOYSA-N

Compound name

tert-butyl 3-[2-[2-[2-[2-[2-[2-[2-(2-aminoethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]propanoate

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 37
Patents: 497.32 Da
Monoisotopic Mass: -1.1
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]+	498.327276	227.5
[M+Na]+	520.309218	231.6
[M-H]-	496.312724	222.4
[M+NH4]+	515.353823	231.8
[M+K]+	536.283158	226.8
[M+H-H2O]+	480.317260	226.6
[M+HCOO]-	542.318201	238.2
[M+CH3COO]-	556.333851	240.5
[M+Na-2H]-	518.294666	213.6
[M]+	497.31945142	227.7
[M]-	497.32054858	227.7

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe