CID 148347

3-fluoranthene-beta-glucopyranoside

Structural Information

Molecular Formula
C22H20O6
SMILES
C1=CC=C2C(=C1)C3=C4C2=CC=CC4=C(C=C3)O[C@H]5[C@@H]([C@H]([C@@H]([C@H](O5)CO)O)O)O
InChI
InChI=1S/C22H20O6/c23-10-17-19(24)20(25)21(26)22(28-17)27-16-9-8-14-12-5-2-1-4-11(12)13-6-3-7-15(16)18(13)14/h1-9,17,19-26H,10H2/t17-,19-,20+,21-,22-/m1/s1
InChIKey
UCSUXNOVPYLKMN-MIUGBVLSSA-N
Compound name
(2S,3R,4S,5S,6R)-2-fluoranthen-3-yloxy-6-(hydroxymethyl)oxane-3,4,5-triol
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

0
Patents

380.12598 Da
Monoisotopic Mass

2.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 381.133256 185.1
[M+Na]+ 403.115198 192.4
[M-H]- 379.118704 189.8
[M+NH4]+ 398.159803 198.1
[M+K]+ 419.089138 188.2
[M+H-H2O]+ 363.123240 178.3
[M+HCOO]- 425.124181 196.1
[M+CH3COO]- 439.139831 194.1
[M+Na-2H]- 401.100646 187.4
[M]+ 380.12543142 186.6
[M]- 380.12652858 186.6
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.