CID 5272655

8-aza-3-deaza-2'-deoxyadenosine

Structural Information

Molecular Formula
C10H13N5O3
SMILES
C1[C@@H]([C@H](O[C@H]1N2C3=C(C(=NC=C3)N)N=N2)CO)O
InChI
InChI=1S/C10H13N5O3/c11-10-9-5(1-2-12-10)15(14-13-9)8-3-6(17)7(4-16)18-8/h1-2,6-8,16-17H,3-4H2,(H2,11,12)/t6-,7+,8+/m0/s1
InChIKey
BIAJRPQSKCDSPO-XLPZGREQSA-N
Compound name
(2R,3S,5R)-5-(4-aminotriazolo[4,5-c]pyridin-1-yl)-2-(hydroxymethyl)oxolan-3-ol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

251.10184 Da
Monoisotopic Mass

-0.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 252.10912 153.3
[M+Na]+ 274.09106 163.4
[M-H]- 250.09456 154.9
[M+NH4]+ 269.13566 166.8
[M+K]+ 290.06500 160.4
[M+H-H2O]+ 234.09910 145.2
[M+HCOO]- 296.10004 170.7
[M+CH3COO]- 310.11569 164.7
[M+Na-2H]- 272.07651 156.1
[M]+ 251.10129 153.4
[M]- 251.10239 153.4
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.