CID 451874

2'-brdda erythro

Structural Information

Molecular Formula
C10H12BrN5O2
SMILES
C1[C@H](O[C@H]([C@@H]1Br)N2C=NC3=C(N=CN=C32)N)CO
InChI
InChI=1S/C10H12BrN5O2/c11-6-1-5(2-17)18-10(6)16-4-15-7-8(12)13-3-14-9(7)16/h3-6,10,17H,1-2H2,(H2,12,13,14)/t5-,6+,10+/m0/s1
InChIKey
FPZFSLXDWDTIOO-BAJZRUMYSA-N
Compound name
[(2S,4R,5R)-5-(6-aminopurin-9-yl)-4-bromooxolan-2-yl]methanol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

313.01743 Da
Monoisotopic Mass

0.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 314.02471 159.9
[M+Na]+ 336.00665 173.2
[M-H]- 312.01015 165.3
[M+NH4]+ 331.05125 175.6
[M+K]+ 351.98059 162.6
[M+H-H2O]+ 296.01469 158.1
[M+HCOO]- 358.01563 176.7
[M+CH3COO]- 372.03128 173.2
[M+Na-2H]- 333.99210 164.0
[M]+ 313.01688 178.8
[M]- 313.01798 178.8
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

No patent data available for this compound.