CID 464379

Chembl2113516

Structural Information

Molecular Formula
C15H20N4O4
SMILES
C1CC(C1)NC2=C3C(=NC=C2)N(C=N3)[C@H]4[C@@H]([C@@H]([C@H](O4)CO)O)O
InChI
InChI=1S/C15H20N4O4/c20-6-10-12(21)13(22)15(23-10)19-7-17-11-9(4-5-16-14(11)19)18-8-2-1-3-8/h4-5,7-8,10,12-13,15,20-22H,1-3,6H2,(H,16,18)/t10-,12-,13-,15-/m1/s1
InChIKey
BFAZOYNYIUQLKY-BPGGGUHBSA-N
Compound name
(2R,3R,4S,5R)-2-[7-(cyclobutylamino)imidazo[4,5-b]pyridin-3-yl]-5-(hydroxymethyl)oxolane-3,4-diol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

2
References

0
Patents

320.14847 Da
Monoisotopic Mass

0.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 321.15575 167.5
[M+Na]+ 343.13769 172.7
[M-H]- 319.14119 171.7
[M+NH4]+ 338.18229 172.4
[M+K]+ 359.11163 172.7
[M+H-H2O]+ 303.14573 154.2
[M+HCOO]- 365.14667 181.8
[M+CH3COO]- 379.16232 176.4
[M+Na-2H]- 341.12314 167.4
[M]+ 320.14792 175.2
[M]- 320.14902 175.2
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

No patent data available for this compound.