CID 3007814

Chembl2115398

Structural Information

Molecular Formula
C10H11FN2O3S
SMILES
CC1=CN(C(=O)NC1=O)[C@@H]2C=C([C@@H](S2)CO)F
InChI
InChI=1S/C10H11FN2O3S/c1-5-3-13(10(16)12-9(5)15)8-2-6(11)7(4-14)17-8/h2-3,7-8,14H,4H2,1H3,(H,12,15,16)/t7-,8-/m0/s1
InChIKey
MPQXUAYELKHFGR-YUMQZZPRSA-N
Compound name
1-[(2S,5S)-4-fluoro-5-(hydroxymethyl)-2,5-dihydrothiophen-2-yl]-5-methylpyrimidine-2,4-dione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

258.04745 Da
Monoisotopic Mass

-0.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 259.05473 151.8
[M+Na]+ 281.03667 163.3
[M-H]- 257.04017 153.5
[M+NH4]+ 276.08127 167.8
[M+K]+ 297.01061 157.7
[M+H-H2O]+ 241.04471 144.7
[M+HCOO]- 303.04565 166.0
[M+CH3COO]- 317.06130 187.7
[M+Na-2H]- 279.02212 150.3
[M]+ 258.04690 152.4
[M]- 258.04800 152.4
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

No patent data available for this compound.