CID 585932

14098-41-0

Structural Information

Molecular Formula
C22H28O7
SMILES
C1COCCOC2=CC=CC=C2OCCOCCOC3=CC=CC=C3OCCO1
InChI
InChI=1S/C22H28O7/c1-3-7-21-19(5-1)26-15-11-23-9-10-24-12-16-27-20-6-2-4-8-22(20)29-18-14-25-13-17-28-21/h1-8H,9-18H2
InChIKey
JKCQOMAQPUYHPL-UHFFFAOYSA-N
Compound name
2,5,8,15,18,21,24-heptaoxatricyclo[23.4.0.09,14]nonacosa-1(29),9,11,13,25,27-hexaene
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

2
References

540
Patents

404.1835 Da
Monoisotopic Mass

2.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 405.19078 189.2
[M+Na]+ 427.17272 191.4
[M-H]- 403.17622 197.1
[M+NH4]+ 422.21732 188.1
[M+K]+ 443.14666 198.2
[M+H-H2O]+ 387.18076 186.9
[M+HCOO]- 449.18170 195.3
[M+CH3COO]- 463.19735 195.9
[M+Na-2H]- 425.15817 195.0
[M]+ 404.18295 184.9
[M]- 404.18405 184.9
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