CID 465228

N(6)-c-pr-1-deaza-dda

Structural Information

Molecular Formula
C14H18N4O2
SMILES
C1C[C@@H](O[C@@H]1CO)N2C=NC3=C(C=CN=C32)NC4CC4
InChI
InChI=1S/C14H18N4O2/c19-7-10-3-4-12(20-10)18-8-16-13-11(17-9-1-2-9)5-6-15-14(13)18/h5-6,8-10,12,19H,1-4,7H2,(H,15,17)/t10-,12+/m0/s1
InChIKey
JIXUKKCLKIJMEN-CMPLNLGQSA-N
Compound name
[(2S,5R)-5-[7-(cyclopropylamino)imidazo[4,5-b]pyridin-3-yl]oxolan-2-yl]methanol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

274.14297 Da
Monoisotopic Mass

0.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 275.15025 162.8
[M+Na]+ 297.13219 172.9
[M-H]- 273.13569 169.9
[M+NH4]+ 292.17679 172.7
[M+K]+ 313.10613 167.9
[M+H-H2O]+ 257.14023 154.7
[M+HCOO]- 319.14117 182.3
[M+CH3COO]- 333.15682 173.9
[M+Na-2H]- 295.11764 165.7
[M]+ 274.14242 165.6
[M]- 274.14352 165.6
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.