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

literature stripe

Patent stripe

patents stripe