CID 467250

1-[(2r,4s,5r)-4-fluoro-5-(hydroxymethyl)tetrahydrofuran-2-yl]-6,7-dimethoxy-quinazoline-2,4-dione

Structural Information

Molecular Formula
C15H17FN2O6
SMILES
COC1=C(C=C2C(=C1)C(=O)NC(=O)N2[C@H]3C[C@@H]([C@H](O3)CO)F)OC
InChI
InChI=1S/C15H17FN2O6/c1-22-10-3-7-9(5-11(10)23-2)18(15(21)17-14(7)20)13-4-8(16)12(6-19)24-13/h3,5,8,12-13,19H,4,6H2,1-2H3,(H,17,20,21)/t8-,12+,13+/m0/s1
InChIKey
WNNKLGFTQRMLAQ-ZEGGKSINSA-N
Compound name
1-[(2R,4S,5R)-4-fluoro-5-(hydroxymethyl)oxolan-2-yl]-6,7-dimethoxyquinazoline-2,4-dione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

340.10706 Da
Monoisotopic Mass

0.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 341.11434 173.7
[M+Na]+ 363.09628 184.3
[M-H]- 339.09978 176.7
[M+NH4]+ 358.14088 185.3
[M+K]+ 379.07022 181.2
[M+H-H2O]+ 323.10432 165.3
[M+HCOO]- 385.10526 189.0
[M+CH3COO]- 399.12091 207.0
[M+Na-2H]- 361.08173 174.1
[M]+ 340.10651 176.8
[M]- 340.10761 176.8
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.