CID 3703882

Dehydrodiferulic dilactone

Structural Information

Molecular Formula
C20H18O8
SMILES
COC1=C(C=CC(=C1)C2C3C(C(OC3=O)C4=CC(=C(C=C4)O)OC)C(=O)O2)O
InChI
InChI=1S/C20H18O8/c1-25-13-7-9(3-5-11(13)21)17-15-16(20(24)27-17)18(28-19(15)23)10-4-6-12(22)14(8-10)26-2/h3-8,15-18,21-22H,1-2H3
InChIKey
DNJFYRXUTBVKIJ-UHFFFAOYSA-N
Compound name
1,4-bis(4-hydroxy-3-methoxyphenyl)-1,3a,4,6a-tetrahydrofuro[3,4-c]furan-3,6-dione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

2
References

84
Patents

386.10016 Da
Monoisotopic Mass

1.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 387.10744 184.0
[M+Na]+ 409.08938 192.9
[M-H]- 385.09288 195.0
[M+NH4]+ 404.13398 196.5
[M+K]+ 425.06332 192.2
[M+H-H2O]+ 369.09742 179.0
[M+HCOO]- 431.09836 201.4
[M+CH3COO]- 445.11401 216.7
[M+Na-2H]- 407.07483 182.4
[M]+ 386.09961 189.9
[M]- 386.10071 189.9
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.