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

113
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

literature stripe

Patent stripe

patents stripe