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]+ 268.10402 156.7
[M+Na]+ 290.08596 167.3
[M-H]- 266.08946 158.0
[M+NH4]+ 285.13056 169.3
[M+K]+ 306.05990 163.8
[M+H-H2O]+ 250.09400 149.2
[M+HCOO]- 312.09494 173.5
[M+CH3COO]- 326.11059 167.8
[M+Na-2H]- 288.07141 159.4
[M]+ 267.09619 157.1
[M]- 267.09729 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

No literature data available for this compound.

Patent stripe

No patent data available for this compound.