CID 495309

Nsc649649

Structural Information

Molecular Formula
C11H15FN2O5
SMILES
COCC1=CN(C(=O)NC1=O)[C@@H]2C[C@H]([C@@H](O2)CO)F
InChI
InChI=1S/C11H15FN2O5/c1-18-5-6-3-14(11(17)13-10(6)16)9-2-7(12)8(4-15)19-9/h3,7-9,15H,2,4-5H2,1H3,(H,13,16,17)/t7-,8+,9+/m1/s1
InChIKey
FWTUQQMMXGWJMQ-VGMNWLOBSA-N
Compound name
1-[(2S,4R,5S)-4-fluoro-5-(hydroxymethyl)oxolan-2-yl]-5-(methoxymethyl)pyrimidine-2,4-dione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

274.0965 Da
Monoisotopic Mass

-1.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 275.10378 156.5
[M+Na]+ 297.08572 166.1
[M-H]- 273.08922 158.1
[M+NH4]+ 292.13032 169.5
[M+K]+ 313.05966 163.5
[M+H-H2O]+ 257.09376 148.4
[M+HCOO]- 319.09470 173.4
[M+CH3COO]- 333.11035 192.0
[M+Na-2H]- 295.07117 157.4
[M]+ 274.09595 157.0
[M]- 274.09705 157.0
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.