CID 152983

8-hydroxyquinoline glucoside

Structural Information

Molecular Formula
C15H17NO6
SMILES
C1=CC2=C(C(=C1)OC3[C@@H]([C@H]([C@@H]([C@H](O3)CO)O)O)O)N=CC=C2
InChI
InChI=1S/C15H17NO6/c17-7-10-12(18)13(19)14(20)15(22-10)21-9-5-1-3-8-4-2-6-16-11(8)9/h1-6,10,12-15,17-20H,7H2/t10-,12-,13+,14-,15?/m1/s1
InChIKey
BWMXDESAZVPVGR-GSZWNOCJSA-N
Compound name
(2R,3S,4S,5R)-2-(hydroxymethyl)-6-quinolin-8-yloxyoxane-3,4,5-triol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

3
References

32
Patents

307.1056 Da
Monoisotopic Mass

-0.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 308.11288 167.9
[M+Na]+ 330.09482 174.6
[M-H]- 306.09832 169.7
[M+NH4]+ 325.13942 178.4
[M+K]+ 346.06876 171.8
[M+H-H2O]+ 290.10286 160.0
[M+HCOO]- 352.10380 180.1
[M+CH3COO]- 366.11945 196.5
[M+Na-2H]- 328.08027 171.4
[M]+ 307.10505 166.5
[M]- 307.10615 166.5
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

patents stripe