CID 84238

Dibenzo-24-crown-8

Structural Information

Molecular Formula
C24H32O8
SMILES
C1COCCOC2=CC=CC=C2OCCOCCOCCOC3=CC=CC=C3OCCO1
InChI
InChI=1S/C24H32O8/c1-2-6-22-21(5-1)29-17-13-25-9-10-27-15-19-31-23-7-3-4-8-24(23)32-20-16-28-12-11-26-14-18-30-22/h1-8H,9-20H2
InChIKey
UNTITLLXXOKDTB-UHFFFAOYSA-N
Compound name
2,5,8,11,18,21,24,27-octaoxatricyclo[26.4.0.012,17]dotriaconta-1(32),12,14,16,28,30-hexaene
Related CIDs

2D Structure

compound 2d structure
3
Annotation Hits

20
References

1951
Patents

448.20972 Da
Monoisotopic Mass

2.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 449.21700 198.0
[M+Na]+ 471.19894 198.9
[M-H]- 447.20244 206.5
[M+NH4]+ 466.24354 193.5
[M+K]+ 487.17288 206.9
[M+H-H2O]+ 431.20698 196.3
[M+HCOO]- 493.20792 201.3
[M+CH3COO]- 507.22357 203.3
[M+Na-2H]- 469.18439 202.4
[M]+ 448.20917 192.8
[M]- 448.21027 192.8
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