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

41
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 190.8
[M+Na]+ 409.16216 198.1
[M-H]- 385.16566 201.6
[M+NH4]+ 404.20676 203.1
[M+K]+ 425.13610 196.8
[M+H-H2O]+ 369.17020 182.4
[M+HCOO]- 431.17114 212.0
[M+CH3COO]- 445.18679 221.3
[M+Na-2H]- 407.14761 189.5
[M]+ 386.17239 198.8
[M]- 386.17349 198.8
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.