CID 9548872

2-hydroxy-1-phenanthryl beta-d-glucopyranoside

Structural Information

Molecular Formula
C20H20O7
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)O
InChI
InChI=1S/C20H20O7/c21-9-15-16(23)17(24)18(25)20(26-15)27-19-13-6-5-10-3-1-2-4-11(10)12(13)7-8-14(19)22/h1-8,15-18,20-25H,9H2/t15-,16-,17+,18-,20+/m1/s1
InChIKey
RZPVCCLYHPVIAO-NUABRCLCSA-N
Compound name
(2R,3S,4S,5R,6S)-2-(hydroxymethyl)-6-(2-hydroxyphenanthren-1-yl)oxyoxane-3,4,5-triol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

372.1209 Da
Monoisotopic Mass

1.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 373.12818 183.1
[M+Na]+ 395.11012 190.6
[M-H]- 371.11362 186.4
[M+NH4]+ 390.15472 192.8
[M+K]+ 411.08406 187.3
[M+H-H2O]+ 355.11816 175.1
[M+HCOO]- 417.11910 194.3
[M+CH3COO]- 431.13475 191.8
[M+Na-2H]- 393.09557 186.4
[M]+ 372.12035 183.6
[M]- 372.12145 183.6
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.