CID 25200640

3-[(2r,3s,4r,5s)-3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]pyrazolo[4,3-d]pyrimidin-7-one

Structural Information

Molecular Formula
C10H10N4O5
SMILES
C1=NC(=O)C2=NN=C(C2=N1)[C@@H]3[C@H]([C@H]([C@@H](O3)CO)O)O
InChI
InChI=1S/C10H10N4O5/c15-1-3-7(16)8(17)9(19-3)5-4-6(14-13-5)10(18)12-2-11-4/h2-3,7-9,15-17H,1H2/t3-,7-,8-,9+/m0/s1
InChIKey
GBQYHSLLQWEICU-ROUYLAABSA-N
Compound name
3-[(2R,3S,4R,5S)-3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]pyrazolo[4,3-d]pyrimidin-7-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

266.06512 Da
Monoisotopic Mass

-2.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 267.07240 156.3
[M+Na]+ 289.05434 166.5
[M-H]- 265.05784 157.0
[M+NH4]+ 284.09894 168.9
[M+K]+ 305.02828 164.0
[M+H-H2O]+ 249.06238 149.0
[M+HCOO]- 311.06332 170.8
[M+CH3COO]- 325.07897 167.3
[M+Na-2H]- 287.03979 157.4
[M]+ 266.06457 157.2
[M]- 266.06567 157.2
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.