CID 3308751

69703-25-9

Structural Information

Molecular Formula
C26H38N2O4
SMILES
C1COCCOCCN(CCOCCOCCN1CC2=CC=CC=C2)CC3=CC=CC=C3
InChI
InChI=1S/C26H38N2O4/c1-3-7-25(8-4-1)23-27-11-15-29-19-21-31-17-13-28(24-26-9-5-2-6-10-26)14-18-32-22-20-30-16-12-27/h1-10H,11-24H2
InChIKey
WAHZGOBRKWVALN-UHFFFAOYSA-N
Compound name
7,16-dibenzyl-1,4,10,13-tetraoxa-7,16-diazacyclooctadecane
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

7
References

153
Patents

442.28317 Da
Monoisotopic Mass

2.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 443.290446 203.5
[M+Na]+ 465.272388 201.8
[M-H]- 441.275894 208.8
[M+NH4]+ 460.316993 199.4
[M+K]+ 481.246328 203.2
[M+H-H2O]+ 425.280430 195.4
[M+HCOO]- 487.281371 209.3
[M+CH3COO]- 501.297021 207.1
[M+Na-2H]- 463.257836 203.0
[M]+ 442.28262142 193.0
[M]- 442.28371858 193.0
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