CID 467292

Nsc655261

Structural Information

Molecular Formula
C11H14FN5O3
SMILES
CONC1=C2C(=NC=N1)N(C=N2)[C@H]3[C@H](C[C@H](O3)CO)F
InChI
InChI=1S/C11H14FN5O3/c1-19-16-9-8-10(14-4-13-9)17(5-15-8)11-7(12)2-6(3-18)20-11/h4-7,11,18H,2-3H2,1H3,(H,13,14,16)/t6-,7-,11+/m0/s1
InChIKey
AOUYQUYQAYGJFT-OKTBNZSVSA-N
Compound name
[(2S,4S,5R)-4-fluoro-5-[6-(methoxyamino)purin-9-yl]oxolan-2-yl]methanol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

283.10806 Da
Monoisotopic Mass

0.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 284.11534 159.0
[M+Na]+ 306.09728 169.0
[M-H]- 282.10078 160.7
[M+NH4]+ 301.14188 172.0
[M+K]+ 322.07122 166.5
[M+H-H2O]+ 266.10532 149.4
[M+HCOO]- 328.10626 177.1
[M+CH3COO]- 342.12191 170.2
[M+Na-2H]- 304.08273 162.1
[M]+ 283.10751 161.0
[M]- 283.10861 161.0
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.