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

literature stripe

Patent stripe

patents stripe