CID 5273013

3'-azido-3'-deoxyado

Structural Information

Molecular Formula
C11H13N7O3
SMILES
C1=CN=C(C2=C1N(C=N2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO)N=[N+]=[N-])O)N
InChI
InChI=1S/C11H13N7O3/c12-10-7-5(1-2-14-10)18(4-15-7)11-9(20)8(16-17-13)6(3-19)21-11/h1-2,4,6,8-9,11,19-20H,3H2,(H2,12,14)/t6-,8-,9-,11-/m1/s1
InChIKey
FLTBHNPQDQEMJX-PNHWDRBUSA-N
Compound name
(2R,3R,4S,5S)-2-(4-aminoimidazo[4,5-c]pyridin-1-yl)-4-azido-5-(hydroxymethyl)oxolan-3-ol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

291.108 Da
Monoisotopic Mass

-0.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 292.11528 159.0
[M+Na]+ 314.09722 167.0
[M-H]- 290.10072 164.7
[M+NH4]+ 309.14182 172.1
[M+K]+ 330.07116 159.5
[M+H-H2O]+ 274.10526 154.6
[M+HCOO]- 336.10620 183.9
[M+CH3COO]- 350.12185 201.0
[M+Na-2H]- 312.08267 167.2
[M]+ 291.10745 156.5
[M]- 291.10855 156.5
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.