CID 467248

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

Structural Information

Molecular Formula
C13H13FN2O4
SMILES
C1[C@@H]([C@H](O[C@H]1N2C3=CC=CC=C3C(=O)NC2=O)CO)F
InChI
InChI=1S/C13H13FN2O4/c14-8-5-11(20-10(8)6-17)16-9-4-2-1-3-7(9)12(18)15-13(16)19/h1-4,8,10-11,17H,5-6H2,(H,15,18,19)/t8-,10+,11+/m0/s1
InChIKey
PNRNXQAXIPRQPE-JMJZKYOTSA-N
Compound name
1-[(2R,4S,5R)-4-fluoro-5-(hydroxymethyl)oxolan-2-yl]quinazoline-2,4-dione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

280.08594 Da
Monoisotopic Mass

0.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 281.09322 159.1
[M+Na]+ 303.07516 169.4
[M-H]- 279.07866 161.7
[M+NH4]+ 298.11976 172.8
[M+K]+ 319.04910 165.1
[M+H-H2O]+ 263.08320 150.8
[M+HCOO]- 325.08414 174.9
[M+CH3COO]- 339.09979 193.6
[M+Na-2H]- 301.06061 161.6
[M]+ 280.08539 157.8
[M]- 280.08649 157.8
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.