CID 455764

2f'-2-nme2-a

Structural Information

Molecular Formula
C12H17FN6O3
SMILES
CN(C)C1=NC(=C2C(=N1)N(C=N2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO)O)F)N
InChI
InChI=1S/C12H17FN6O3/c1-18(2)12-16-9(14)7-10(17-12)19(4-15-7)11-6(13)8(21)5(3-20)22-11/h4-6,8,11,20-21H,3H2,1-2H3,(H2,14,16,17)/t5-,6-,8-,11-/m1/s1
InChIKey
KZFDFSBKSIKXFT-HUKYDQBMSA-N
Compound name
(2R,3R,4R,5R)-5-[6-amino-2-(dimethylamino)purin-9-yl]-4-fluoro-2-(hydroxymethyl)oxolan-3-ol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

312.1346 Da
Monoisotopic Mass

0.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 313.14188 169.9
[M+Na]+ 335.12382 180.1
[M-H]- 311.12732 172.2
[M+NH4]+ 330.16842 181.8
[M+K]+ 351.09776 177.5
[M+H-H2O]+ 295.13186 160.8
[M+HCOO]- 357.13280 187.1
[M+CH3COO]- 371.14845 209.8
[M+Na-2H]- 333.10927 169.8
[M]+ 312.13405 171.0
[M]- 312.13515 171.0
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.