CID 49767016

1-[(2s,4r)-3-fluoro-4-(hydroxymethyl)tetrahydrofuran-2-yl]-5-methyl-pyrimidine-2,4-dione

Structural Information

Molecular Formula
C10H13FN2O4
SMILES
CC1=CN(C(=O)NC1=O)[C@@H]2C([C@@H](CO2)CO)F
InChI
InChI=1S/C10H13FN2O4/c1-5-2-13(10(16)12-8(5)15)9-7(11)6(3-14)4-17-9/h2,6-7,9,14H,3-4H2,1H3,(H,12,15,16)/t6-,7?,9+/m1/s1
InChIKey
FJGVXZLTMONTHI-YUTBPMSOSA-N
Compound name
1-[(2S,4R)-3-fluoro-4-(hydroxymethyl)oxolan-2-yl]-5-methylpyrimidine-2,4-dione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

244.08594 Da
Monoisotopic Mass

-0.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 245.09322 149.6
[M+Na]+ 267.07516 159.9
[M-H]- 243.07866 151.4
[M+NH4]+ 262.11976 164.0
[M+K]+ 283.04910 156.9
[M+H-H2O]+ 227.08320 141.9
[M+HCOO]- 289.08414 166.7
[M+CH3COO]- 303.09979 186.7
[M+Na-2H]- 265.06061 150.9
[M]+ 244.08539 148.4
[M]- 244.08649 148.4
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.