CID 452060

3'-az-8-br-dda

Structural Information

Molecular Formula
C10H11BrN8O2
SMILES
C1[C@@H]([C@H](O[C@H]1N2C3=NC=NC(=C3N=C2Br)N)CO)N=[N+]=[N-]
InChI
InChI=1S/C10H11BrN8O2/c11-10-16-7-8(12)14-3-15-9(7)19(10)6-1-4(17-18-13)5(2-20)21-6/h3-6,20H,1-2H2,(H2,12,14,15)/t4-,5+,6+/m0/s1
InChIKey
LFGBYWAPILNGJG-KVQBGUIXSA-N
Compound name
[(2S,3S,5R)-5-(6-amino-8-bromopurin-9-yl)-3-azidooxolan-2-yl]methanol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

354.01883 Da
Monoisotopic Mass

1.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 355.02611 166.5
[M+Na]+ 377.00805 177.9
[M-H]- 353.01155 174.5
[M+NH4]+ 372.05265 180.3
[M+K]+ 392.98199 162.6
[M+H-H2O]+ 337.01609 166.2
[M+HCOO]- 399.01703 189.1
[M+CH3COO]- 413.03268 209.6
[M+Na-2H]- 374.99350 175.8
[M]+ 354.01828 183.4
[M]- 354.01938 183.4
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.