CID 469767

1-(2,3-dideoxy-2,2-difluoro-.beta.-l-glyceropentofuranosyl)thymine

Structural Information

Molecular Formula
C10H12F2N2O4
SMILES
CC1=CN(C(=O)NC1=O)[C@@H]2C(C[C@@H](O2)CO)(F)F
InChI
InChI=1S/C10H12F2N2O4/c1-5-3-14(9(17)13-7(5)16)8-10(11,12)2-6(4-15)18-8/h3,6,8,15H,2,4H2,1H3,(H,13,16,17)/t6-,8+/m1/s1
InChIKey
HUGLTDZCTWCZGR-SVRRBLITSA-N
Compound name
1-[(2S,5R)-3,3-difluoro-5-(hydroxymethyl)oxolan-2-yl]-5-methylpyrimidine-2,4-dione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

262.0765 Da
Monoisotopic Mass

-0.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 263.08378 150.1
[M+Na]+ 285.06572 161.4
[M-H]- 261.06922 150.9
[M+NH4]+ 280.11032 165.8
[M+K]+ 301.03966 158.3
[M+H-H2O]+ 245.07376 142.4
[M+HCOO]- 307.07470 166.1
[M+CH3COO]- 321.09035 189.0
[M+Na-2H]- 283.05117 152.3
[M]+ 262.07595 148.2
[M]- 262.07705 148.2
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.