CID 544918

31250-18-7

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

115
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 181.8
[M+Na]+ 447.24654 170.8
[M-H]- 423.25004 160.2
[M+NH4]+ 442.29114 181.2
[M+K]+ 463.22048 179.8
[M+H-H2O]+ 407.25458 179.8
[M+HCOO]- 469.25552 164.5
[M+CH3COO]- 483.27117 176.9
[M+Na-2H]- 445.23199 186.0
[M]+ 424.25677 175.7
[M]- 424.25787 175.7
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