CID 3011612

1-(2',3'-dideoxy-2',3'-dihydro-3'-fluoro-4'-ethylnyl-.beta.-d-furanosyl)thymine

Structural Information

Molecular Formula
C12H11FN2O4
SMILES
CC1=CN(C(=O)NC1=O)[C@H]2C=C([C@](O2)(CO)C#C)F
InChI
InChI=1S/C12H11FN2O4/c1-3-12(6-16)8(13)4-9(19-12)15-5-7(2)10(17)14-11(15)18/h1,4-5,9,16H,6H2,2H3,(H,14,17,18)/t9-,12-/m1/s1
InChIKey
CRCKLURLROEQEF-BXKDBHETSA-N
Compound name
1-[(2R,5R)-5-ethynyl-4-fluoro-5-(hydroxymethyl)-2H-furan-2-yl]-5-methylpyrimidine-2,4-dione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

266.07028 Da
Monoisotopic Mass

-0.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 267.07756 150.9
[M+Na]+ 289.05950 164.2
[M-H]- 265.06300 150.8
[M+NH4]+ 284.10410 164.3
[M+K]+ 305.03344 158.9
[M+H-H2O]+ 249.06754 137.4
[M+HCOO]- 311.06848 163.4
[M+CH3COO]- 325.08413 197.4
[M+Na-2H]- 287.04495 152.7
[M]+ 266.06973 145.8
[M]- 266.07083 145.8
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

No patent data available for this compound.