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
4
Annotation Hits

43
References

7222
Patents

376.25732 Da
Monoisotopic Mass

-1.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 377.26460 180.6
[M+Na]+ 399.24654 169.2
[M-H]- 375.25004 156.6
[M+NH4]+ 394.29114 181.4
[M+K]+ 415.22048 178.5
[M+H-H2O]+ 359.25458 179.8
[M+HCOO]- 421.25552 162.6
[M+CH3COO]- 435.27117 175.5
[M+Na-2H]- 397.23199 184.9
[M]+ 376.25677 174.1
[M]- 376.25787 174.1
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe