CID 15958451

2(1h)-pyrimidinone, 1-(3-deoxy-b-l-erythro-pentofuranosyl)-5-fluoro-4-(hydroxyamino)-

Structural Information

Molecular Formula
C9H12FN3O5
SMILES
C1[C@@H](O[C@@H]([C@H]1O)N2C=C(C(=NC2=O)NO)F)CO
InChI
InChI=1S/C9H12FN3O5/c10-5-2-13(9(16)11-7(5)12-17)8-6(15)1-4(3-14)18-8/h2,4,6,8,14-15,17H,1,3H2,(H,11,12,16)/t4-,6+,8+/m1/s1
InChIKey
KTOBOVBMLZSTBB-YFEGFQIRSA-N
Compound name
5-fluoro-4-(hydroxyamino)-1-[(2S,3S,5R)-3-hydroxy-5-(hydroxymethyl)oxolan-2-yl]pyrimidin-2-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

261.0761 Da
Monoisotopic Mass

-2.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 262.08338 152.8
[M+Na]+ 284.06532 161.6
[M-H]- 260.06882 153.4
[M+NH4]+ 279.10992 165.3
[M+K]+ 300.03926 159.1
[M+H-H2O]+ 244.07336 144.7
[M+HCOO]- 306.07430 169.7
[M+CH3COO]- 320.08995 189.9
[M+Na-2H]- 282.05077 154.8
[M]+ 261.07555 150.8
[M]- 261.07665 150.8
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.