CID 21601949

4,8-dimethyl-6-o-(2',4'-di-o-methyl-beta-d-xylopyranosyl)hydroxyquinoline

Structural Information

Molecular Formula
C18H23NO5
SMILES
CC1=C2C=C(C=C(C2=NC=C1)C)O[C@H]3[C@@H]([C@H]([C@@H](CO3)OC)O)OC
InChI
InChI=1S/C18H23NO5/c1-10-5-6-19-15-11(2)7-12(8-13(10)15)24-18-17(22-4)16(20)14(21-3)9-23-18/h5-8,14,16-18,20H,9H2,1-4H3/t14-,16+,17-,18+/m1/s1
InChIKey
HZFIBZVPZZVOBC-SPUZQDLCSA-N
Compound name
(2S,3R,4S,5R)-2-(4,8-dimethylquinolin-6-yl)oxy-3,5-dimethoxyoxan-4-ol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

333.15762 Da
Monoisotopic Mass

1.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 334.164896 178.6
[M+Na]+ 356.146838 186.4
[M-H]- 332.150344 184.4
[M+NH4]+ 351.191443 190.6
[M+K]+ 372.120778 184.8
[M+H-H2O]+ 316.154880 169.7
[M+HCOO]- 378.155821 194.1
[M+CH3COO]- 392.171471 210.9
[M+Na-2H]- 354.132286 180.9
[M]+ 333.15707142 182.4
[M]- 333.15816858 182.4
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.