CID 3008192

Chembl3245956

Structural Information

Molecular Formula
C11H14N4O4
SMILES
C[C@@H]1[C@H]([C@H]([C@@H](O1)N2C=NC3=C2C=C(NC3=O)N)O)O
InChI
InChI=1S/C11H14N4O4/c1-4-8(16)9(17)11(19-4)15-3-13-7-5(15)2-6(12)14-10(7)18/h2-4,8-9,11,16-17H,1H3,(H3,12,14,18)/t4-,8-,9-,11-/m1/s1
InChIKey
DTVXDZGBFPFHRX-KJZZYSIUSA-N
Compound name
6-amino-1-[(2R,3R,4S,5R)-3,4-dihydroxy-5-methyloxolan-2-yl]-5H-imidazo[4,5-c]pyridin-4-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

1
Patents

266.1015 Da
Monoisotopic Mass

-1.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 267.10878 157.8
[M+Na]+ 289.09072 168.8
[M-H]- 265.09422 160.0
[M+NH4]+ 284.13532 171.8
[M+K]+ 305.06466 165.0
[M+H-H2O]+ 249.09876 151.2
[M+HCOO]- 311.09970 174.9
[M+CH3COO]- 325.11535 169.3
[M+Na-2H]- 287.07617 158.5
[M]+ 266.10095 157.5
[M]- 266.10205 157.5
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

patents stripe