CID 452213

128496-09-3

Structural Information

Molecular Formula
C9H11F2N3O3
SMILES
C1[C@H](O[C@H]([C@H]1F)N2C=C(C(=NC2=O)N)F)CO
InChI
InChI=1S/C9H11F2N3O3/c10-5-1-4(3-15)17-8(5)14-2-6(11)7(12)13-9(14)16/h2,4-5,8,15H,1,3H2,(H2,12,13,16)/t4-,5-,8+/m0/s1
InChIKey
PQIIAWFMYCQACX-ZVQZEWSASA-N
Compound name
4-amino-5-fluoro-1-[(2R,3S,5S)-3-fluoro-5-(hydroxymethyl)oxolan-2-yl]pyrimidin-2-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

3
References

19
Patents

247.07684 Da
Monoisotopic Mass

-0.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 248.08412 150.1
[M+Na]+ 270.06606 160.3
[M-H]- 246.06956 151.5
[M+NH4]+ 265.11066 164.5
[M+K]+ 286.04000 157.4
[M+H-H2O]+ 230.07410 141.0
[M+HCOO]- 292.07504 167.9
[M+CH3COO]- 306.09069 191.9
[M+Na-2H]- 268.05151 151.1
[M]+ 247.07629 146.8
[M]- 247.07739 146.8
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.