CID 471726

6-amino-1-[(2r,4s,5r)-4-hydroxy-5-(hydroxymethyl)-3-methylene-tetrahydrofuran-2-yl]-5h-imidazo[4,5-c]pyridin-4-one

Structural Information

Molecular Formula
C12H14N4O4
SMILES
C=C1[C@@H]([C@H](O[C@H]1N2C=NC3=C2C=C(NC3=O)N)CO)O
InChI
InChI=1S/C12H14N4O4/c1-5-10(18)7(3-17)20-12(5)16-4-14-9-6(16)2-8(13)15-11(9)19/h2,4,7,10,12,17-18H,1,3H2,(H3,13,15,19)/t7-,10+,12-/m1/s1
InChIKey
XFNOIZCRVJFKKB-INNHCVQGSA-N
Compound name
6-amino-1-[(2R,4S,5R)-4-hydroxy-5-(hydroxymethyl)-3-methylideneoxolan-2-yl]-5H-imidazo[4,5-c]pyridin-4-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

278.1015 Da
Monoisotopic Mass

-1.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 279.10878 161.6
[M+Na]+ 301.09072 172.4
[M-H]- 277.09422 163.7
[M+NH4]+ 296.13532 175.0
[M+K]+ 317.06466 167.8
[M+H-H2O]+ 261.09876 154.9
[M+HCOO]- 323.09970 178.6
[M+CH3COO]- 337.11535 172.7
[M+Na-2H]- 299.07617 161.8
[M]+ 278.10095 160.9
[M]- 278.10205 160.9
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.