CID 464394

Chembl3143083

Structural Information

Molecular Formula
C15H20N4O3
SMILES
C1CC(C1)NC2=C3C(=NC=C2)N(C=N3)[C@H]4C[C@@H]([C@H](O4)CO)O
InChI
InChI=1S/C15H20N4O3/c20-7-12-11(21)6-13(22-12)19-8-17-14-10(4-5-16-15(14)19)18-9-2-1-3-9/h4-5,8-9,11-13,20-21H,1-3,6-7H2,(H,16,18)/t11-,12+,13+/m0/s1
InChIKey
UGYJEOHNWOQMAQ-YNEHKIRRSA-N
Compound name
(2R,3S,5R)-5-[7-(cyclobutylamino)imidazo[4,5-b]pyridin-3-yl]-2-(hydroxymethyl)oxolan-3-ol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

304.15353 Da
Monoisotopic Mass

1.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 305.16081 162.9
[M+Na]+ 327.14275 168.2
[M-H]- 303.14625 168.1
[M+NH4]+ 322.18735 169.1
[M+K]+ 343.11669 168.3
[M+H-H2O]+ 287.15079 149.4
[M+HCOO]- 349.15173 178.7
[M+CH3COO]- 363.16738 172.6
[M+Na-2H]- 325.12820 163.9
[M]+ 304.15298 170.7
[M]- 304.15408 170.7
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.