CID 72806

79495-97-9

Structural Information

Molecular Formula

C₃₂H₆₆N₂O₄

SMILES

CCCCCCCCCCN1CCOCCOCCN(CCOCCOCC1)CCCCCCCCCC

InChI

InChI=1S/C32H66N2O4/c1-3-5-7-9-11-13-15-17-19-33-21-25-35-29-31-37-27-23-34(24-28-38-32-30-36-26-22-33)20-18-16-14-12-10-8-6-4-2/h3-32H2,1-2H3

InChIKey

WUHOJKXEIIYUSL-UHFFFAOYSA-N

Compound name

7,16-didecyl-1,4,10,13-tetraoxa-7,16-diazacyclooctadecane

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 1
References: 31
Patents: 542.50226 Da
Monoisotopic Mass: 8.5
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]+	543.50954	246.4
[M+Na]+	565.49148	239.6
[M-H]-	541.49498	243.6
[M+NH4]+	560.53608	239.6
[M+K]+	581.46542	239.9
[M+H-H2O]+	525.49952	238.4
[M+HCOO]-	587.50046	247.8
[M+CH3COO]-	601.51611	241.2
[M+Na-2H]-	563.47693	239.1
[M]+	542.50171	243.6
[M]-	542.50281	243.6

Literature stripe

literature stripe

Patent stripe

patents stripe