CID 1286

Dimethylmatairesinol

Structural Information

Molecular Formula
C22H26O6
SMILES
COC1=C(C=C(C=C1)CC2COC(=O)C2CC3=CC(=C(C=C3)OC)OC)OC
InChI
InChI=1S/C22H26O6/c1-24-18-7-5-14(11-20(18)26-3)9-16-13-28-22(23)17(16)10-15-6-8-19(25-2)21(12-15)27-4/h5-8,11-12,16-17H,9-10,13H2,1-4H3
InChIKey
SNAOLIMFHAAIER-UHFFFAOYSA-N
Compound name
3,4-bis[(3,4-dimethoxyphenyl)methyl]oxolan-2-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

2
References

67
Patents

386.17294 Da
Monoisotopic Mass

3.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 387.18022 191.7
[M+Na]+ 409.16216 204.8
[M+NH4]+ 404.20676 198.0
[M+K]+ 425.13610 200.2
[M-H]- 385.16566 197.6
[M+Na-2H]- 407.14761 197.2
[M]+ 386.17239 195.2
[M]- 386.17349 195.2
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