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 179.8
[M+Na]+ 379.11520 187.2
[M-H]- 355.11870 184.1
[M+NH4]+ 374.15980 190.7
[M+K]+ 395.08914 183.5
[M+H-H2O]+ 339.12324 171.7
[M+HCOO]- 401.12418 192.5
[M+CH3COO]- 415.13983 189.0
[M+Na-2H]- 377.10065 184.0
[M]+ 356.12543 180.1
[M]- 356.12653 180.1
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.