CID 9548672

1-phenanthryl beta-d-glucoside

Structural Information

Molecular Formula
C20H20O6
SMILES
C1=CC=C2C(=C1)C=CC3=C2C=CC=C3O[C@H]4[C@@H]([C@H]([C@@H]([C@H](O4)CO)O)O)O
InChI
InChI=1S/C20H20O6/c21-10-16-17(22)18(23)19(24)20(26-16)25-15-7-3-6-13-12-5-2-1-4-11(12)8-9-14(13)15/h1-9,16-24H,10H2/t16-,17-,18+,19-,20-/m1/s1
InChIKey
RYTFSXYZAYHCOC-OUUBHVDSSA-N
Compound name
(2R,3S,4S,5R,6S)-2-(hydroxymethyl)-6-phenanthren-1-yloxyoxane-3,4,5-triol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

356.12598 Da
Monoisotopic Mass

2.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 357.13326 181.7
[M+Na]+ 379.11520 196.0
[M+NH4]+ 374.15980 188.9
[M+K]+ 395.08914 189.9
[M-H]- 355.11870 186.5
[M+Na-2H]- 377.10065 185.9
[M]+ 356.12543 185.1
[M]- 356.12653 185.1
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

No patent data available for this compound.