CID 477294

L-2'-a-5-fddc

Structural Information

Molecular Formula
C9H11FN6O3
SMILES
C1[C@@H](O[C@@H]([C@H]1N=[N+]=[N-])N2C=C(C(=NC2=O)N)F)CO
InChI
InChI=1S/C9H11FN6O3/c10-5-2-16(9(18)13-7(5)11)8-6(14-15-12)1-4(3-17)19-8/h2,4,6,8,17H,1,3H2,(H2,11,13,18)/t4-,6+,8+/m1/s1
InChIKey
NULUATORMPJUGF-YFEGFQIRSA-N
Compound name
4-amino-1-[(2S,3S,5R)-3-azido-5-(hydroxymethyl)oxolan-2-yl]-5-fluoropyrimidin-2-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

270.08768 Da
Monoisotopic Mass

-0.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 271.09496 154.7
[M+Na]+ 293.07690 162.7
[M-H]- 269.08040 160.1
[M+NH4]+ 288.12150 167.9
[M+K]+ 309.05084 155.8
[M+H-H2O]+ 253.08494 149.4
[M+HCOO]- 315.08588 180.3
[M+CH3COO]- 329.10153 198.8
[M+Na-2H]- 291.06235 161.7
[M]+ 270.08713 150.0
[M]- 270.08823 150.0
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.