CID 72283

122757-54-4

Structural Information

Molecular Formula
C10H11FN2O4
SMILES
CC1=CN(C(=O)NC1=O)[C@H]2C(=C[C@H](O2)CO)F
InChI
InChI=1S/C10H11FN2O4/c1-5-3-13(10(16)12-8(5)15)9-7(11)2-6(4-14)17-9/h2-3,6,9,14H,4H2,1H3,(H,12,15,16)/t6-,9+/m0/s1
InChIKey
VVHNXFRGXWUNCK-IMTBSYHQSA-N
Compound name
1-[(2R,5S)-3-fluoro-5-(hydroxymethyl)-2,5-dihydrofuran-2-yl]-5-methylpyrimidine-2,4-dione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

6
References

9
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 147.9
[M+Na]+ 265.05950 159.2
[M-H]- 241.06300 150.1
[M+NH4]+ 260.10410 162.5
[M+K]+ 281.03344 156.0
[M+H-H2O]+ 225.06754 140.2
[M+HCOO]- 287.06848 166.4
[M+CH3COO]- 301.08413 186.3
[M+Na-2H]- 263.04495 150.1
[M]+ 242.06973 148.1
[M]- 242.07083 148.1
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe