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]+ 295.10888 164.1
[M+Na]+ 317.09082 175.0
[M-H]- 293.09432 167.0
[M+NH4]+ 312.13542 177.6
[M+K]+ 333.06476 170.5
[M+H-H2O]+ 277.09886 156.0
[M+HCOO]- 339.09980 179.5
[M+CH3COO]- 353.11545 198.0
[M+Na-2H]- 315.07627 165.4
[M]+ 294.10105 163.7
[M]- 294.10215 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.