CID 513629

2,6,7-trichloro-1-(.beta.-d-ribofuranosyl)imidazo[4,5-b]quinoline

Structural Information

Molecular Formula
C15H12Cl3N3O4
SMILES
C1=C2C=C(C(=CC2=NC3=C1N(C(=N3)Cl)[C@H]4[C@@H]([C@@H]([C@H](O4)CO)O)O)Cl)Cl
InChI
InChI=1S/C15H12Cl3N3O4/c16-6-1-5-2-9-13(19-8(5)3-7(6)17)20-15(18)21(9)14-12(24)11(23)10(4-22)25-14/h1-3,10-12,14,22-24H,4H2/t10-,11-,12-,14-/m1/s1
InChIKey
MUDMQBUTQOJUPU-HKUMRIAESA-N
Compound name
(2R,3S,4R,5R)-2-(hydroxymethyl)-5-(2,6,7-trichloroimidazo[4,5-b]quinolin-1-yl)oxolane-3,4-diol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

402.98935 Da
Monoisotopic Mass

2.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 403.99663 185.9
[M+Na]+ 425.97857 199.1
[M-H]- 401.98207 187.6
[M+NH4]+ 421.02317 197.6
[M+K]+ 441.95251 193.0
[M+H-H2O]+ 385.98661 180.1
[M+HCOO]- 447.98755 185.5
[M+CH3COO]- 462.00320 195.1
[M+Na-2H]- 423.96402 183.8
[M]+ 402.98880 191.9
[M]- 402.98990 191.9
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.