CID 5273012

3'-azido-3'-deoxyadenosine

Structural Information

Molecular Formula
C10H12N8O3
SMILES
C1=NC(=C2C(=N1)N(C=N2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO)N=[N+]=[N-])O)N
InChI
InChI=1S/C10H12N8O3/c11-8-6-9(14-2-13-8)18(3-15-6)10-7(20)5(16-17-12)4(1-19)21-10/h2-5,7,10,19-20H,1H2,(H2,11,13,14)/t4-,5-,7-,10-/m1/s1
InChIKey
HTWSTKVLFZRAPM-QYYRPYCUSA-N
Compound name
(2R,3R,4S,5S)-2-(6-aminopurin-9-yl)-4-azido-5-(hydroxymethyl)oxolan-3-ol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

7
References

54
Patents

292.10324 Da
Monoisotopic Mass

-0.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 293.11052 158.8
[M+Na]+ 315.09246 167.2
[M-H]- 291.09596 163.5
[M+NH4]+ 310.13706 170.5
[M+K]+ 331.06640 159.7
[M+H-H2O]+ 275.10050 153.8
[M+HCOO]- 337.10144 182.7
[M+CH3COO]- 351.11709 201.0
[M+Na-2H]- 313.07791 167.6
[M]+ 292.10269 156.4
[M]- 292.10379 156.4
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.