CID 5256604

40471-97-4

Structural Information

Molecular Formula
C26H36N2O6
SMILES
C1COCCOCCN2CCOC3=CC=CC=C3OCCN1CCOC4=CC=CC=C4OCC2
InChI
InChI=1S/C26H36N2O6/c1-2-6-24-23(5-1)31-17-11-27-9-15-29-21-22-30-16-10-28(12-18-32-24)14-20-34-26-8-4-3-7-25(26)33-19-13-27/h1-8H,9-22H2
InChIKey
KBGDKACEOLZYIC-UHFFFAOYSA-N
Compound name
4,11,17,24,29,32-hexaoxa-1,14-diazatetracyclo[12.12.8.05,10.018,23]tetratriaconta-5,7,9,18,20,22-hexaene
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

9
Patents

472.25732 Da
Monoisotopic Mass

2.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 473.26460 183.2
[M+Na]+ 495.24654 172.4
[M-H]- 471.25004 163.9
[M+NH4]+ 490.29114 181.0
[M+K]+ 511.22048 181.1
[M+H-H2O]+ 455.25458 179.7
[M+HCOO]- 517.25552 166.4
[M+CH3COO]- 531.27117 178.3
[M+Na-2H]- 493.23199 187.1
[M]+ 472.25677 177.4
[M]- 472.25787 177.4
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

No patent data available for this compound.