CID 495476

Nsc655545

Structural Information

Molecular Formula
C11H16FN3O4
SMILES
COCC1=CN(C(=O)N=C1N)[C@@H]2C[C@H]([C@@H](O2)CO)F
InChI
InChI=1S/C11H16FN3O4/c1-18-5-6-3-15(11(17)14-10(6)13)9-2-7(12)8(4-16)19-9/h3,7-9,16H,2,4-5H2,1H3,(H2,13,14,17)/t7-,8+,9+/m1/s1
InChIKey
SXQXBAIYLUOUMK-VGMNWLOBSA-N
Compound name
4-amino-1-[(2S,4R,5S)-4-fluoro-5-(hydroxymethyl)oxolan-2-yl]-5-(methoxymethyl)pyrimidin-2-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

273.1125 Da
Monoisotopic Mass

-1.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 274.11978 159.0
[M+Na]+ 296.10172 168.0
[M-H]- 272.10522 161.5
[M+NH4]+ 291.14632 172.3
[M+K]+ 312.07566 165.9
[M+H-H2O]+ 256.10976 150.3
[M+HCOO]- 318.11070 177.5
[M+CH3COO]- 332.12635 197.4
[M+Na-2H]- 294.08717 159.7
[M]+ 273.11195 159.0
[M]- 273.11305 159.0
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.