CID 453195

Adenosine, 5'-azido-5'-deoxy-4'-c-fluoro-2',3'-o-(1-methylethylidene)-

Structural Information

Molecular Formula
C13H15FN8O3
SMILES
CC1(O[C@@H]2[C@H](O1)[C@](O[C@H]2N3C=NC4=C(N=CN=C43)N)(CN=[N+]=[N-])F)C
InChI
InChI=1S/C13H15FN8O3/c1-12(2)23-7-8(24-12)13(14,3-20-21-16)25-11(7)22-5-19-6-9(15)17-4-18-10(6)22/h4-5,7-8,11H,3H2,1-2H3,(H2,15,17,18)/t7-,8+,11-,13-/m1/s1
InChIKey
IOGRHEQTLYRZAX-LVNATWPUSA-N
Compound name
9-[(3aS,4S,6R,6aR)-4-(azidomethyl)-4-fluoro-2,2-dimethyl-6,6a-dihydro-3aH-furo[3,4-d][1,3]dioxol-6-yl]purin-6-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

350.12512 Da
Monoisotopic Mass

1.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 351.13240 169.6
[M+Na]+ 373.11434 179.7
[M-H]- 349.11784 177.5
[M+NH4]+ 368.15894 184.0
[M+K]+ 389.08828 174.8
[M+H-H2O]+ 333.12238 165.4
[M+HCOO]- 395.12332 191.3
[M+CH3COO]- 409.13897 215.6
[M+Na-2H]- 371.09979 178.9
[M]+ 350.12457 171.1
[M]- 350.12567 171.1
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.