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
2
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]+ 357.133256 179.8
[M+Na]+ 379.115198 187.2
[M-H]- 355.118704 184.1
[M+NH4]+ 374.159803 190.7
[M+K]+ 395.089138 183.5
[M+H-H2O]+ 339.123240 171.7
[M+HCOO]- 401.124181 192.5
[M+CH3COO]- 415.139831 189.0
[M+Na-2H]- 377.100646 184.0
[M]+ 356.12543142 180.1
[M]- 356.12652858 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.