CID 22808590

Mls002608266

Structural Information

Molecular Formula
C20H22O4
SMILES
C1[C@H]([C@@H]2[C@H](O1)[C@H](CO2)OCC3=CC=CC=C3)OCC4=CC=CC=C4
InChI
InChI=1S/C20H22O4/c1-3-7-15(8-4-1)11-21-17-13-23-20-18(14-24-19(17)20)22-12-16-9-5-2-6-10-16/h1-10,17-20H,11-14H2/t17-,18+,19-,20-/m1/s1
InChIKey
QWKHGLDNMRMYFF-IYWMVGAKSA-N
Compound name
(3S,3aR,6R,6aR)-3,6-bis(phenylmethoxy)-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

4
Patents

326.1518 Da
Monoisotopic Mass

2.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 327.15908 175.8
[M+Na]+ 349.14102 188.3
[M+NH4]+ 344.18562 184.7
[M+K]+ 365.11496 184.7
[M-H]- 325.14452 184.0
[M+Na-2H]- 347.12647 181.7
[M]+ 326.15125 179.9
[M]- 326.15235 179.9
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

patents stripe