CID 502133

1-[(3s,6s)-4-fluoro-3-hydroxy-3,6-dihydro-2h-pyran-6-yl]-5-methyl-pyrimidine-2,4-dione

Structural Information

Molecular Formula
C10H11FN2O4
SMILES
CC1=CN(C(=O)NC1=O)[C@@H]2C=C([C@H](CO2)O)F
InChI
InChI=1S/C10H11FN2O4/c1-5-3-13(10(16)12-9(5)15)8-2-6(11)7(14)4-17-8/h2-3,7-8,14H,4H2,1H3,(H,12,15,16)/t7-,8-/m0/s1
InChIKey
QYSJLXHWLVJSQQ-YUMQZZPRSA-N
Compound name
1-[(3S,6S)-4-fluoro-3-hydroxy-3,6-dihydro-2H-pyran-6-yl]-5-methylpyrimidine-2,4-dione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

242.07028 Da
Monoisotopic Mass

-1.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 243.07756 149.8
[M+Na]+ 265.05950 160.3
[M-H]- 241.06300 151.6
[M+NH4]+ 260.10410 162.4
[M+K]+ 281.03344 157.1
[M+H-H2O]+ 225.06754 141.2
[M+HCOO]- 287.06848 166.0
[M+CH3COO]- 301.08413 187.0
[M+Na-2H]- 263.04495 153.4
[M]+ 242.06973 147.8
[M]- 242.07083 147.8
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.