CID 513637

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

Structural Information

Molecular Formula
C18H18Cl2N4O4
SMILES
C1CC1NC2=NC3=C(N2[C@H]4[C@@H]([C@@H]([C@H](O4)CO)O)O)N=C5C=C(C(=CC5=C3)Cl)Cl
InChI
InChI=1S/C18H18Cl2N4O4/c19-9-3-7-4-12-16(22-11(7)5-10(9)20)24(18(23-12)21-8-1-2-8)17-15(27)14(26)13(6-25)28-17/h3-5,8,13-15,17,25-27H,1-2,6H2,(H,21,23)/t13-,14-,15-,17-/m1/s1
InChIKey
XGEKJWPXRVYLHW-KCYZZUKISA-N
Compound name
(2R,3R,4S,5R)-2-[6,7-dichloro-2-(cyclopropylamino)imidazo[4,5-b]quinolin-3-yl]-5-(hydroxymethyl)oxolane-3,4-diol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

424.0705 Da
Monoisotopic Mass

2.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 425.07778 191.8
[M+Na]+ 447.05972 204.3
[M-H]- 423.06322 197.1
[M+NH4]+ 442.10432 197.5
[M+K]+ 463.03366 195.9
[M+H-H2O]+ 407.06776 185.8
[M+HCOO]- 469.06870 197.1
[M+CH3COO]- 483.08435 200.3
[M+Na-2H]- 445.04517 190.3
[M]+ 424.06995 199.2
[M]- 424.07105 199.2
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.