CID 14137606

3',4'-dimethoxy-3',4'-desmethylenecubebin

Structural Information

Molecular Formula
C21H24O6
SMILES
COC1=C(C=C(C=C1)CC2COC(C2CC3=CC4=C(C=C3)OCO4)O)OC
InChI
InChI=1S/C21H24O6/c1-23-17-5-3-13(9-19(17)24-2)7-15-11-25-21(22)16(15)8-14-4-6-18-20(10-14)27-12-26-18/h3-6,9-10,15-16,21-22H,7-8,11-12H2,1-2H3
InChIKey
VHLUROMCVXTWNM-UHFFFAOYSA-N
Compound name
3-(1,3-benzodioxol-5-ylmethyl)-4-[(3,4-dimethoxyphenyl)methyl]oxolan-2-ol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

372.1573 Da
Monoisotopic Mass

3.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 373.16458 185.6
[M+Na]+ 395.14652 197.7
[M+NH4]+ 390.19112 192.7
[M+K]+ 411.12046 196.4
[M-H]- 371.15002 193.9
[M+Na-2H]- 393.13197 188.6
[M]+ 372.15675 189.7
[M]- 372.15785 189.7
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

No patent data available for this compound.