CID 5273750

Schembl5142265

Structural Information

Molecular Formula
C9H12FN3O5
SMILES
C1=CN(C(=O)N=C1NO)[C@H]2[C@@H]([C@@H]([C@H](O2)CO)O)F
InChI
InChI=1S/C9H12FN3O5/c10-6-7(15)4(3-14)18-8(6)13-2-1-5(12-17)11-9(13)16/h1-2,4,6-8,14-15,17H,3H2,(H,11,12,16)/t4-,6-,7-,8-/m1/s1
InChIKey
NCPVFBQZEBQSSL-XVFCMESISA-N
Compound name
1-[(2R,3R,4R,5R)-3-fluoro-4-hydroxy-5-(hydroxymethyl)oxolan-2-yl]-4-(hydroxyamino)pyrimidin-2-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

6
Patents

261.0761 Da
Monoisotopic Mass

-1.2
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

patents stripe