CID 10926424

19046-64-1

Structural Information

Molecular Formula
C20H22O6
SMILES
C1[C@H]2[C@H]([C@H](OC(O2)C3=CC=CC=C3)[C@@H](CO)O)OC(O1)C4=CC=CC=C4
InChI
InChI=1S/C20H22O6/c21-11-15(22)17-18-16(24-20(25-17)14-9-5-2-6-10-14)12-23-19(26-18)13-7-3-1-4-8-13/h1-10,15-22H,11-12H2/t15-,16+,17-,18-,19?,20?/m1/s1
InChIKey
FMZUHGYZWYNSOA-VVBFYGJXSA-N
Compound name
(1R)-1-[(4R,4aR,8aS)-2,6-diphenyl-4,4a,8,8a-tetrahydro-[1,3]dioxino[5,4-d][1,3]dioxin-4-yl]ethane-1,2-diol
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

10
References

13519
Patents

358.14163 Da
Monoisotopic Mass

1.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 359.14891 184.5
[M+Na]+ 381.13085 197.6
[M+NH4]+ 376.17545 191.4
[M+K]+ 397.10479 192.7
[M-H]- 357.13435 194.6
[M+Na-2H]- 379.11630 188.4
[M]+ 358.14108 189.2
[M]- 358.14218 189.2
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