CID 513636

2-(6,7-dichloro-imidazo[4,5-b]quinolin-3-yl)-5-hydroxymethyl-tetrahydro-furan-3,4-diol

Structural Information

Molecular Formula
C15H13Cl2N3O4
SMILES
C1=C2C=C(C(=CC2=NC3=C1N=CN3[C@H]4[C@@H]([C@@H]([C@H](O4)CO)O)O)Cl)Cl
InChI
InChI=1S/C15H13Cl2N3O4/c16-7-1-6-2-10-14(19-9(6)3-8(7)17)20(5-18-10)15-13(23)12(22)11(4-21)24-15/h1-3,5,11-13,15,21-23H,4H2/t11-,12-,13-,15-/m1/s1
InChIKey
IRCDIHZRYYUUDX-RGCMKSIDSA-N
Compound name
(2R,3R,4S,5R)-2-(6,7-dichloroimidazo[4,5-b]quinolin-3-yl)-5-(hydroxymethyl)oxolane-3,4-diol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

2
References

0
Patents

369.02832 Da
Monoisotopic Mass

1.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 370.03560 180.2
[M+Na]+ 392.01754 193.0
[M-H]- 368.02104 182.8
[M+NH4]+ 387.06214 193.0
[M+K]+ 407.99148 186.9
[M+H-H2O]+ 352.02558 174.0
[M+HCOO]- 414.02652 185.2
[M+CH3COO]- 428.04217 190.3
[M+Na-2H]- 390.00299 179.7
[M]+ 369.02777 185.8
[M]- 369.02887 185.8
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.