CID 458023

Nsc196222

Structural Information

Molecular Formula
C10H13N5O4
SMILES
C1=NC(=C2C(=N1)N=C(N2)[C@H]3[C@H]([C@@H]([C@H](O3)CO)O)O)N
InChI
InChI=1S/C10H13N5O4/c11-8-4-9(13-2-12-8)15-10(14-4)7-6(18)5(17)3(1-16)19-7/h2-3,5-7,16-18H,1H2,(H3,11,12,13,14,15)/t3-,5-,6+,7-/m1/s1
InChIKey
DUOYPXBTHOYYFD-XYXSHXKPSA-N
Compound name
(2S,3S,4S,5R)-2-(6-amino-7H-purin-8-yl)-5-(hydroxymethyl)oxolane-3,4-diol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

267.09674 Da
Monoisotopic Mass

-2.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 268.104016 157.5
[M+Na]+ 290.085958 167.3
[M-H]- 266.089464 157.0
[M+NH4]+ 285.130563 169.1
[M+K]+ 306.059898 163.4
[M+H-H2O]+ 250.094000 150.1
[M+HCOO]- 312.094941 172.0
[M+CH3COO]- 326.110591 167.7
[M+Na-2H]- 288.071406 158.9
[M]+ 267.09619142 155.9
[M]- 267.09728858 155.9
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.