CID 9799500

Justisolin

Structural Information

Molecular Formula
C20H18O7
SMILES
C1C2C(COC2C3=CC4=C(C=C3O)OCO4)C(O1)C5=CC6=C(C=C5)OCO6
InChI
InChI=1S/C20H18O7/c21-14-5-18-17(26-9-27-18)4-11(14)20-13-7-22-19(12(13)6-23-20)10-1-2-15-16(3-10)25-8-24-15/h1-5,12-13,19-21H,6-9H2
InChIKey
KQRXQIPRDKVZPW-UHFFFAOYSA-N
Compound name
6-[3-(1,3-benzodioxol-5-yl)-1,3,3a,4,6,6a-hexahydrofuro[3,4-c]furan-6-yl]-1,3-benzodioxol-5-ol
Related CIDs

2D Structure

compound 2d structure
3
Annotation Hits

44
References

1733
Patents

370.10526 Da
Monoisotopic Mass

2.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 371.11254 174.6
[M+Na]+ 393.09448 185.7
[M+NH4]+ 388.13908 182.6
[M+K]+ 409.06842 190.6
[M-H]- 369.09798 186.1
[M+Na-2H]- 391.07993 173.6
[M]+ 370.10471 179.6
[M]- 370.10581 179.6
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

patents stripe