CID 10940805

73342-16-2

Structural Information

Molecular Formula

C₂₄H₄₉N₃O₁₂

SMILES

C(COCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCO)N=[N+]=[N-]

InChI

InChI=1S/C24H49N3O12/c25-27-26-1-3-29-5-7-31-9-11-33-13-15-35-17-19-37-21-23-39-24-22-38-20-18-36-16-14-34-12-10-32-8-6-30-4-2-28/h28H,1-24H2

InChIKey

AFUKFRGNHZRMCW-UHFFFAOYSA-N

Compound name

2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-(2-azidoethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethanol

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 9
Patents: 571.3316 Da
Monoisotopic Mass: -1.2
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]+	572.338876	264.4
[M+Na]+	594.320818	267.9
[M-H]-	570.324324	260.3
[M+NH4]+	589.365423	268.8
[M+K]+	610.294758	262.4
[M+H-H2O]+	554.328860	255.9
[M+HCOO]-	616.329801	276.5
[M+CH3COO]-	630.345451	251.0
[M+Na-2H]-	592.306266	246.9
[M]+	571.33105142	257.4
[M]-	571.33214858	257.4

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe