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]+ 373.128176 183.1
[M+Na]+ 395.110118 190.6
[M-H]- 371.113624 186.4
[M+NH4]+ 390.154723 192.8
[M+K]+ 411.084058 187.3
[M+H-H2O]+ 355.118160 175.1
[M+HCOO]- 417.119101 194.3
[M+CH3COO]- 431.134751 191.8
[M+Na-2H]- 393.095566 186.4
[M]+ 372.12035142 183.6
[M]- 372.12144858 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.