CID 135415643

Hojnqybryvfxni-kcgfpetgsa-n

Structural Information

Molecular Formula
C11H14N4O5
SMILES
CC1=NC2=C(C=NN2[C@H]3[C@@H]([C@@H]([C@H](O3)CO)O)O)C(=O)N1
InChI
InChI=1S/C11H14N4O5/c1-4-13-9-5(10(19)14-4)2-12-15(9)11-8(18)7(17)6(3-16)20-11/h2,6-8,11,16-18H,3H2,1H3,(H,13,14,19)/t6-,7-,8-,11-/m1/s1
InChIKey
HOJNQYBRYVFXNI-KCGFPETGSA-N
Compound name
1-[(2R,3R,4S,5R)-3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]-6-methyl-5H-pyrazolo[3,4-d]pyrimidin-4-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

282.0964 Da
Monoisotopic Mass

-2.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 283.10368 161.8
[M+Na]+ 305.08562 172.9
[M-H]- 281.08912 161.9
[M+NH4]+ 300.13022 173.5
[M+K]+ 321.05956 169.1
[M+H-H2O]+ 265.09366 154.9
[M+HCOO]- 327.09460 175.7
[M+CH3COO]- 341.11025 172.4
[M+Na-2H]- 303.07107 162.1
[M]+ 282.09585 163.1
[M]- 282.09695 163.1
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.