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

17
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

literature stripe

Patent stripe

patents stripe