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]+ 334.16490 178.6
[M+Na]+ 356.14684 186.4
[M-H]- 332.15034 184.4
[M+NH4]+ 351.19144 190.6
[M+K]+ 372.12078 184.8
[M+H-H2O]+ 316.15488 169.7
[M+HCOO]- 378.15582 194.1
[M+CH3COO]- 392.17147 210.9
[M+Na-2H]- 354.13229 180.9
[M]+ 333.15707 182.4
[M]- 333.15817 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.