CID 459895

2'-deoxyadenosine n 1-oxide

Structural Information

Molecular Formula
C10H13N5O4
SMILES
C1[C@@H]([C@H](O[C@H]1N2C=NC3=C2N=CN(C3=N)O)CO)O
InChI
InChI=1S/C10H13N5O4/c11-9-8-10(13-4-15(9)18)14(3-12-8)7-1-5(17)6(2-16)19-7/h3-7,11,16-18H,1-2H2/t5-,6+,7+/m0/s1
InChIKey
CVEOTBARGSEIDG-RRKCRQDMSA-N
Compound name
(2R,3S,5R)-5-(1-hydroxy-6-iminopurin-9-yl)-2-(hydroxymethyl)oxolan-3-ol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

2
References

27
Patents

267.09674 Da
Monoisotopic Mass

-1.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 268.104016 156.7
[M+Na]+ 290.085958 167.3
[M-H]- 266.089464 158.0
[M+NH4]+ 285.130563 169.3
[M+K]+ 306.059898 163.8
[M+H-H2O]+ 250.094000 149.2
[M+HCOO]- 312.094941 173.5
[M+CH3COO]- 326.110591 167.8
[M+Na-2H]- 288.071406 159.4
[M]+ 267.09619142 157.1
[M]- 267.09728858 157.1
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

patents stripe