CID 16072582

N-3-(2-fluoroethyl)-flt

Structural Information

Molecular Formula
C12H16F2N2O4
SMILES
CC1=CN(C(=O)N(C1=O)CCF)[C@H]2C[C@@H]([C@H](O2)CO)F
InChI
InChI=1S/C12H16F2N2O4/c1-7-5-16(10-4-8(14)9(6-17)20-10)12(19)15(3-2-13)11(7)18/h5,8-10,17H,2-4,6H2,1H3/t8-,9+,10+/m0/s1
InChIKey
AUPKVLUDJKSWPC-IVZWLZJFSA-N
Compound name
3-(2-fluoroethyl)-1-[(2R,4S,5R)-4-fluoro-5-(hydroxymethyl)oxolan-2-yl]-5-methylpyrimidine-2,4-dione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

290.10782 Da
Monoisotopic Mass

0.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 291.11510 160.6
[M+Na]+ 313.09704 171.4
[M-H]- 289.10054 162.4
[M+NH4]+ 308.14164 174.1
[M+K]+ 329.07098 168.3
[M+H-H2O]+ 273.10508 151.6
[M+HCOO]- 335.10602 177.4
[M+CH3COO]- 349.12167 199.1
[M+Na-2H]- 311.08249 160.0
[M]+ 290.10727 161.2
[M]- 290.10837 161.2
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.