CID 467249

1-[(2r,4s,5r)-4-fluoro-5-(hydroxymethyl)tetrahydrofuran-2-yl]-6-methyl-quinazoline-2,4-dione

Structural Information

Molecular Formula
C14H15FN2O4
SMILES
CC1=CC2=C(C=C1)N(C(=O)NC2=O)[C@H]3C[C@@H]([C@H](O3)CO)F
InChI
InChI=1S/C14H15FN2O4/c1-7-2-3-10-8(4-7)13(19)16-14(20)17(10)12-5-9(15)11(6-18)21-12/h2-4,9,11-12,18H,5-6H2,1H3,(H,16,19,20)/t9-,11+,12+/m0/s1
InChIKey
DRVQJNYYOXRHOJ-MVWJERBFSA-N
Compound name
1-[(2R,4S,5R)-4-fluoro-5-(hydroxymethyl)oxolan-2-yl]-6-methylquinazoline-2,4-dione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

294.1016 Da
Monoisotopic Mass

0.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 295.108876 164.1
[M+Na]+ 317.090818 175.0
[M-H]- 293.094324 167.0
[M+NH4]+ 312.135423 177.6
[M+K]+ 333.064758 170.5
[M+H-H2O]+ 277.098860 156.0
[M+HCOO]- 339.099801 179.5
[M+CH3COO]- 353.115451 198.0
[M+Na-2H]- 315.076266 165.4
[M]+ 294.10105142 163.7
[M]- 294.10214858 163.7
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.