CID 72801

23978-09-8

Structural Information

Molecular Formula

C₁₈H₃₆N₂O₆

SMILES

C1COCCOCCN2CCOCCOCCN1CCOCCOCC2

InChI

InChI=1S/C18H36N2O6/c1-7-21-13-14-24-10-4-20-5-11-25-17-15-22-8-2-19(1)3-9-23-16-18-26-12-6-20/h1-18H2

InChIKey

AUFVJZSDSXXFOI-UHFFFAOYSA-N

Compound name

4,7,13,16,21,24-hexaoxa-1,10-diazabicyclo[8.8.8]hexacosane

Related CIDs

2D Structure

compound 2d structure

3
Annotation Hits: 43
References: 6711
Patents: 376.25732 Da
Monoisotopic Mass: -1.0
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]+	377.26460	204.6
[M+Na]+	399.24654	207.4
[M+NH4]+	394.29114	209.4
[M+K]+	415.22048	202.4
[M-H]-	375.25004	200.1
[M+Na-2H]-	397.23199	185.2
[M]+	376.25677	202.9
[M]-	376.25787	202.9

Literature stripe

literature stripe

Patent stripe

patents stripe