CID 136961885

Chembl3544864

Structural Information

Molecular Formula

C₁₀H₁₂N₄O₅

SMILES

C1[C@@H]([C@H](O[C@H]1N2C3=C(C=N2)C(=O)NC(=O)N3)CO)O

InChI

InChI=1S/C10H12N4O5/c15-3-6-5(16)1-7(19-6)14-8-4(2-11-14)9(17)13-10(18)12-8/h2,5-7,15-16H,1,3H2,(H2,12,13,17,18)/t5-,6+,7+/m0/s1

InChIKey

UCWVZJPSZVFVJG-RRKCRQDMSA-N

Compound name

1-[(2R,4S,5R)-4-hydroxy-5-(hydroxymethyl)oxolan-2-yl]-7H-pyrazolo[5,4-d]pyrimidine-4,6-dione

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 0
Patents: 268.08078 Da
Monoisotopic Mass: -1.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Å²) per adduct calculated using CCSbase.
Adduct	m/z	Predicted CCS (Å²)
[M+H]+	269.088056	156.1
[M+Na]+	291.069998	167.1
[M-H]-	267.073504	156.0
[M+NH4]+	286.114603	168.1
[M+K]+	307.043938	163.0
[M+H-H2O]+	251.078040	149.1
[M+HCOO]-	313.078981	170.6
[M+CH3COO]-	327.094631	166.9
[M+Na-2H]-	289.055446	157.6
[M]+	268.08023142	156.0
[M]-	268.08132858	156.0

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.