CID 65372

2'-deoxyxanthosine

Structural Information

Molecular Formula
C10H12N4O5
SMILES
C1[C@@H]([C@H](O[C@H]1N2C=NC3=C2NC(=O)NC3=O)CO)O
InChI
InChI=1S/C10H12N4O5/c15-2-5-4(16)1-6(19-5)14-3-11-7-8(14)12-10(18)13-9(7)17/h3-6,15-16H,1-2H2,(H2,12,13,17,18)/t4-,5+,6+/m0/s1
InChIKey
NQAZHXBSLFDVKM-KVQBGUIXSA-N
Compound name
9-[(2R,4S,5R)-4-hydroxy-5-(hydroxymethyl)oxolan-2-yl]-3H-purine-2,6-dione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

14
References

435
Patents

268.08078 Da
Monoisotopic Mass

-1.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[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
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

patents stripe