CID 493836

9-(3-azido-3-deoxy-2-o,4-c-methylene-.beta.-d-ribofuranosyl)adenine

Structural Information

Molecular Formula
C11H12N8O3
SMILES
C1[C@]2([C@H]([C@@H](O1)[C@@H](O2)N3C=NC4=C(N=CN=C43)N)N=[N+]=[N-])CO
InChI
InChI=1S/C11H12N8O3/c12-8-5-9(15-3-14-8)19(4-16-5)10-6-7(17-18-13)11(1-20,22-10)2-21-6/h3-4,6-7,10,20H,1-2H2,(H2,12,14,15)/t6-,7+,10-,11+/m1/s1
InChIKey
WEAOYTZIVKZIIY-KYAGDKKUSA-N
Compound name
[(1S,3R,4R,7S)-3-(6-aminopurin-9-yl)-7-azido-2,5-dioxabicyclo[2.2.1]heptan-1-yl]methanol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

304.10324 Da
Monoisotopic Mass

-0.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 305.11052 156.1
[M+Na]+ 327.09246 164.8
[M-H]- 303.09596 162.1
[M+NH4]+ 322.13706 171.5
[M+K]+ 343.06640 159.5
[M+H-H2O]+ 287.10050 152.5
[M+HCOO]- 349.10144 179.1
[M+CH3COO]- 363.11709 204.8
[M+Na-2H]- 325.07791 167.1
[M]+ 304.10269 156.8
[M]- 304.10379 156.8
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.