CID 5272656

8-aza-3-deaza-2',3'-dideoxyadenosine

Structural Information

Molecular Formula
C10H13N5O2
SMILES
C1C[C@@H](O[C@@H]1CO)N2C3=C(C(=NC=C3)N)N=N2
InChI
InChI=1S/C10H13N5O2/c11-10-9-7(3-4-12-10)15(14-13-9)8-2-1-6(5-16)17-8/h3-4,6,8,16H,1-2,5H2,(H2,11,12)/t6-,8+/m0/s1
InChIKey
QXFZNFGNUQRVOC-POYBYMJQSA-N
Compound name
[(2S,5R)-5-(4-aminotriazolo[4,5-c]pyridin-1-yl)oxolan-2-yl]methanol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

235.10692 Da
Monoisotopic Mass

-0.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 236.114196 149.5
[M+Na]+ 258.096138 159.4
[M-H]- 234.099644 152.0
[M+NH4]+ 253.140743 164.2
[M+K]+ 274.070078 156.7
[M+H-H2O]+ 218.104180 140.9
[M+HCOO]- 280.105121 168.3
[M+CH3COO]- 294.120771 161.4
[M+Na-2H]- 256.081586 153.3
[M]+ 235.10637142 149.5
[M]- 235.10746858 149.5
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.