CID 13939336

O-ethylcubebin

Structural Information

Molecular Formula
C22H24O6
SMILES
CCOC1C(C(CO1)CC2=CC3=C(C=C2)OCO3)CC4=CC5=C(C=C4)OCO5
InChI
InChI=1S/C22H24O6/c1-2-23-22-17(8-15-4-6-19-21(10-15)28-13-26-19)16(11-24-22)7-14-3-5-18-20(9-14)27-12-25-18/h3-6,9-10,16-17,22H,2,7-8,11-13H2,1H3
InChIKey
DPOGOONVHHNDDP-UHFFFAOYSA-N
Compound name
5-[[4-(1,3-benzodioxol-5-ylmethyl)-2-ethoxyoxolan-3-yl]methyl]-1,3-benzodioxole
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

6
Patents

384.1573 Da
Monoisotopic Mass

4.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 385.16458 185.2
[M+Na]+ 407.14652 197.1
[M+NH4]+ 402.19112 193.0
[M+K]+ 423.12046 197.9
[M-H]- 383.15002 196.3
[M+Na-2H]- 405.13197 186.4
[M]+ 384.15675 190.2
[M]- 384.15785 190.2
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