CID 5274088

Schembl9086429

Structural Information

Molecular Formula
C9H12FN3O4
SMILES
C1[C@@H]([C@H](O[C@H]1N2C=CC(=NC2=O)NO)CO)F
InChI
InChI=1S/C9H12FN3O4/c10-5-3-8(17-6(5)4-14)13-2-1-7(12-16)11-9(13)15/h1-2,5-6,8,14,16H,3-4H2,(H,11,12,15)/t5-,6+,8+/m0/s1
InChIKey
ZVAQUCFETNYFQI-SHYZEUOFSA-N
Compound name
1-[(2R,4S,5R)-4-fluoro-5-(hydroxymethyl)oxolan-2-yl]-4-(hydroxyamino)pyrimidin-2-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

2
Patents

245.08118 Da
Monoisotopic Mass

-1.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 246.08846 149.5
[M+Na]+ 268.07040 158.0
[M-H]- 244.07390 151.0
[M+NH4]+ 263.11500 163.2
[M+K]+ 284.04434 155.8
[M+H-H2O]+ 228.07844 141.1
[M+HCOO]- 290.07938 167.7
[M+CH3COO]- 304.09503 188.3
[M+Na-2H]- 266.05585 152.5
[M]+ 245.08063 147.5
[M]- 245.08173 147.5
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

patents stripe