CID 467188

1-(2,3-dideoxy-3-fluoro-.beta.-d-erythro-pentofuranosyl)thieno[2,3-d]-pyrimidine-2,4(1h,3h)-dione

Structural Information

Molecular Formula
C11H11FN2O4S
SMILES
C1[C@@H]([C@H](O[C@H]1N2C3=C(C=CS3)C(=O)NC2=O)CO)F
InChI
InChI=1S/C11H11FN2O4S/c12-6-3-8(18-7(6)4-15)14-10-5(1-2-19-10)9(16)13-11(14)17/h1-2,6-8,15H,3-4H2,(H,13,16,17)/t6-,7+,8+/m0/s1
InChIKey
DZBDZAIORVBOPM-XLPZGREQSA-N
Compound name
1-[(2R,4S,5R)-4-fluoro-5-(hydroxymethyl)oxolan-2-yl]thieno[2,3-d]pyrimidine-2,4-dione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

286.04236 Da
Monoisotopic Mass

0.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 287.04964 157.3
[M+Na]+ 309.03158 169.8
[M-H]- 285.03508 161.1
[M+NH4]+ 304.07618 173.8
[M+K]+ 325.00552 165.8
[M+H-H2O]+ 269.03962 151.7
[M+HCOO]- 331.04056 171.6
[M+CH3COO]- 345.05621 169.9
[M+Na-2H]- 307.01703 156.7
[M]+ 286.04181 160.5
[M]- 286.04291 160.5
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.