CID 467279

[(2s,4s,5r)-4-fluoro-5-(6-nitropurin-9-yl)tetrahydrofuran-2-yl]methanol

Structural Information

Molecular Formula
C10H10FN5O4
SMILES
C1[C@H](O[C@H]([C@H]1F)N2C=NC3=C2N=CN=C3[N+](=O)[O-])CO
InChI
InChI=1S/C10H10FN5O4/c11-6-1-5(2-17)20-10(6)15-4-14-7-8(15)12-3-13-9(7)16(18)19/h3-6,10,17H,1-2H2/t5-,6-,10+/m0/s1
InChIKey
NQDOAFJZPCKIGD-JFWOZONXSA-N
Compound name
[(2S,4S,5R)-4-fluoro-5-(6-nitropurin-9-yl)oxolan-2-yl]methanol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

283.0717 Da
Monoisotopic Mass

0.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 284.07898 155.9
[M+Na]+ 306.06092 165.1
[M-H]- 282.06442 158.1
[M+NH4]+ 301.10552 168.1
[M+K]+ 322.03486 158.7
[M+H-H2O]+ 266.06896 151.2
[M+HCOO]- 328.06990 174.1
[M+CH3COO]- 342.08555 190.0
[M+Na-2H]- 304.04637 161.9
[M]+ 283.07115 155.0
[M]- 283.07225 155.0
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.