CID 12342344

4'-formylbenzo-18-crown 6-ether

Structural Information

Molecular Formula
C17H24O7
SMILES
C1COCCOCCOC2=C(C=CC(=C2)C=O)OCCOCCO1
InChI
InChI=1S/C17H24O7/c18-14-15-1-2-16-17(13-15)24-12-10-22-8-6-20-4-3-19-5-7-21-9-11-23-16/h1-2,13-14H,3-12H2
InChIKey
ALMXRNQJWRGNMG-UHFFFAOYSA-N
Compound name
2,5,8,11,14,17-hexaoxabicyclo[16.4.0]docosa-1(18),19,21-triene-20-carbaldehyde
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

42
Patents

340.1522 Da
Monoisotopic Mass

-0.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 341.15948 172.5
[M+Na]+ 363.14142 183.0
[M+NH4]+ 358.18602 177.3
[M+K]+ 379.11536 179.8
[M-H]- 339.14492 182.7
[M+Na-2H]- 361.12687 174.4
[M]+ 340.15165 176.5
[M]- 340.15275 176.5
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