CID 6481558

(3as,5r,6r)-3a-(4-aminoimidazo[4,5-c]pyridin-1-yl)-5-(hydroxymethyl)-6,6a-dihydro-5h-furo[2,3-d][1,3]dioxol-6-ol

Structural Information

Molecular Formula
C12H14N4O5
SMILES
C1OC2[C@@H]([C@H](O[C@@]2(O1)N3C=NC4=C3C=CN=C4N)CO)O
InChI
InChI=1S/C12H14N4O5/c13-11-8-6(1-2-14-11)16(4-15-8)12-10(19-5-20-12)9(18)7(3-17)21-12/h1-2,4,7,9-10,17-18H,3,5H2,(H2,13,14)/t7-,9-,10?,12-/m1/s1
InChIKey
QIHMTJQUJPKVMO-YBYPLNBPSA-N
Compound name
(3aS,5R,6R)-3a-(4-aminoimidazo[4,5-c]pyridin-1-yl)-5-(hydroxymethyl)-6,6a-dihydro-5H-furo[2,3-d][1,3]dioxol-6-ol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

294.0964 Da
Monoisotopic Mass

-1.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 295.10368 158.6
[M+Na]+ 317.08562 168.8
[M-H]- 293.08912 164.0
[M+NH4]+ 312.13022 173.6
[M+K]+ 333.05956 168.7
[M+H-H2O]+ 277.09366 153.7
[M+HCOO]- 339.09460 174.2
[M+CH3COO]- 353.11025 170.6
[M+Na-2H]- 315.07107 161.8
[M]+ 294.09585 161.9
[M]- 294.09695 161.9
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.