CID 464377

Chembl2113478

Structural Information

Molecular Formula
C14H18N4O4
SMILES
C1CC1NC2=C3C(=NC=C2)N(C=N3)[C@H]4[C@@H]([C@@H]([C@H](O4)CO)O)O
InChI
InChI=1S/C14H18N4O4/c19-5-9-11(20)12(21)14(22-9)18-6-16-10-8(17-7-1-2-7)3-4-15-13(10)18/h3-4,6-7,9,11-12,14,19-21H,1-2,5H2,(H,15,17)/t9-,11-,12-,14-/m1/s1
InChIKey
IFIBJYVITGFRFB-XIDUGBJDSA-N
Compound name
(2R,3R,4S,5R)-2-[7-(cyclopropylamino)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

306.1328 Da
Monoisotopic Mass

0.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 307.14008 167.6
[M+Na]+ 329.12202 178.2
[M-H]- 305.12552 173.1
[M+NH4]+ 324.16662 175.3
[M+K]+ 345.09596 172.2
[M+H-H2O]+ 289.13006 160.9
[M+HCOO]- 351.13100 184.4
[M+CH3COO]- 365.14665 177.8
[M+Na-2H]- 327.10747 169.0
[M]+ 306.13225 170.8
[M]- 306.13335 170.8
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.