CID 510978

2-azidoadenosine

Structural Information

Molecular Formula
C10H12N8O4
SMILES
C1=NC2=C(N=C(N=C2N1[C@H]3[C@@H]([C@@H]([C@H](O3)CO)O)O)N=[N+]=[N-])N
InChI
InChI=1S/C10H12N8O4/c11-7-4-8(15-10(14-7)16-17-12)18(2-13-4)9-6(21)5(20)3(1-19)22-9/h2-3,5-6,9,19-21H,1H2,(H2,11,14,15)/t3-,5-,6-,9-/m1/s1
InChIKey
BSZZPOARGMTJKQ-UUOKFMHZSA-N
Compound name
(2R,3R,4S,5R)-2-(6-amino-2-azidopurin-9-yl)-5-(hydroxymethyl)oxolane-3,4-diol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

6
References

616
Patents

308.09814 Da
Monoisotopic Mass

0.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 309.10542 162.1
[M+Na]+ 331.08736 170.6
[M-H]- 307.09086 166.0
[M+NH4]+ 326.13196 172.6
[M+K]+ 347.06130 163.0
[M+H-H2O]+ 291.09540 157.6
[M+HCOO]- 353.09634 184.7
[M+CH3COO]- 367.11199 202.4
[M+Na-2H]- 329.07281 170.2
[M]+ 308.09759 159.7
[M]- 308.09869 159.7
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.