CID 513633

(2r,3r,4s,5r)-2-[6,7-dichloro-2-(isopropylamino)imidazo[4,5-b]quinolin-1-yl]-5-(hydroxymethyl)tetrahydrofuran-3,4-diol

Structural Information

Molecular Formula
C18H20Cl2N4O4
SMILES
CC(C)NC1=NC2=C(N1[C@H]3[C@@H]([C@@H]([C@H](O3)CO)O)O)C=C4C=C(C(=CC4=N2)Cl)Cl
InChI
InChI=1S/C18H20Cl2N4O4/c1-7(2)21-18-23-16-12(4-8-3-9(19)10(20)5-11(8)22-16)24(18)17-15(27)14(26)13(6-25)28-17/h3-5,7,13-15,17,25-27H,6H2,1-2H3,(H,21,22,23)/t13-,14-,15-,17-/m1/s1
InChIKey
WDMLYQYAVLMJPN-KCYZZUKISA-N
Compound name
(2R,3R,4S,5R)-2-[6,7-dichloro-2-(propan-2-ylamino)imidazo[4,5-b]quinolin-1-yl]-5-(hydroxymethyl)oxolane-3,4-diol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

426.08615 Da
Monoisotopic Mass

2.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 427.09343 197.7
[M+Na]+ 449.07537 208.6
[M-H]- 425.07887 200.4
[M+NH4]+ 444.11997 208.1
[M+K]+ 465.04931 202.8
[M+H-H2O]+ 409.08341 191.4
[M+HCOO]- 471.08435 201.8
[M+CH3COO]- 485.10000 206.2
[M+Na-2H]- 447.06082 194.9
[M]+ 426.08560 203.7
[M]- 426.08670 203.7
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.