CID 544918

Kryptand 222b

Structural Information

Molecular Formula
C22H36N2O6
SMILES
C1COCCOCCN2CCOCCOCCN1CCOC3=CC=CC=C3OCC2
InChI
InChI=1S/C22H36N2O6/c1-2-4-22-21(3-1)29-15-9-23-5-11-25-17-19-27-13-7-24(10-16-30-22)8-14-28-20-18-26-12-6-23/h1-4H,5-20H2
InChIKey
QXLUTPDNMOEWGG-UHFFFAOYSA-N
Compound name
4,11,17,20,25,28-hexaoxa-1,14-diazatricyclo[12.8.8.05,10]triaconta-5,7,9-triene
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

114
Patents

424.25732 Da
Monoisotopic Mass

0.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 425.26460 207.8
[M+Na]+ 447.24654 212.7
[M+NH4]+ 442.29114 213.0
[M+K]+ 463.22048 207.0
[M-H]- 423.25004 205.2
[M+Na-2H]- 445.23199 190.5
[M]+ 424.25677 207.1
[M]- 424.25787 207.1
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe