CID 26541

Dibenzo-18-crown-6

Structural Information

Molecular Formula
C20H24O6
SMILES
C1COC2=CC=CC=C2OCCOCCOC3=CC=CC=C3OCCO1
InChI
InChI=1S/C20H24O6/c1-2-6-18-17(5-1)23-13-9-21-11-15-25-19-7-3-4-8-20(19)26-16-12-22-10-14-24-18/h1-8H,9-16H2
InChIKey
YSSSPARMOAYJTE-UHFFFAOYSA-N
Compound name
2,5,8,15,18,21-hexaoxatricyclo[20.4.0.09,14]hexacosa-1(26),9,11,13,22,24-hexaene
Related CIDs

2D Structure

compound 2d structure
4
Annotation Hits

82
References

10184
Patents

360.1573 Da
Monoisotopic Mass

2.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 361.16458 179.3
[M+Na]+ 383.14652 182.9
[M-H]- 359.15002 186.4
[M+NH4]+ 378.19112 181.7
[M+K]+ 399.12046 188.4
[M+H-H2O]+ 343.15456 176.5
[M+HCOO]- 405.15550 188.2
[M+CH3COO]- 419.17115 187.4
[M+Na-2H]- 381.13197 186.5
[M]+ 360.15675 175.8
[M]- 360.15785 175.8
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