CID 464392

Chembl3143085

Structural Information

Molecular Formula
C14H18N4O3
SMILES
C1CC1NC2=C3C(=NC=C2)N(C=N3)[C@H]4C[C@@H]([C@H](O4)CO)O
InChI
InChI=1S/C14H18N4O3/c19-6-11-10(20)5-12(21-11)18-7-16-13-9(17-8-1-2-8)3-4-15-14(13)18/h3-4,7-8,10-12,19-20H,1-2,5-6H2,(H,15,17)/t10-,11+,12+/m0/s1
InChIKey
LOXVKSNLZNWQHI-QJPTWQEYSA-N
Compound name
(2R,3S,5R)-5-[7-(cyclopropylamino)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

290.13788 Da
Monoisotopic Mass

1.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 291.14516 165.2
[M+Na]+ 313.12710 175.6
[M-H]- 289.13060 171.5
[M+NH4]+ 308.17170 174.0
[M+K]+ 329.10104 170.0
[M+H-H2O]+ 273.13514 157.8
[M+HCOO]- 335.13608 183.4
[M+CH3COO]- 349.15173 175.9
[M+Na-2H]- 311.11255 167.3
[M]+ 290.13733 168.2
[M]- 290.13843 168.2
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.