CID 16072584

N-3-(2-fluoroethyl)-ara-t

Structural Information

Molecular Formula
C12H17FN2O6
SMILES
CC1=CN(C(=O)N(C1=O)CCF)[C@H]2[C@H]([C@@H]([C@H](O2)CO)O)O
InChI
InChI=1S/C12H17FN2O6/c1-6-4-15(12(20)14(3-2-13)10(6)19)11-9(18)8(17)7(5-16)21-11/h4,7-9,11,16-18H,2-3,5H2,1H3/t7-,8-,9+,11-/m1/s1
InChIKey
ODPHUGZUKCSXFG-SDNRWEOFSA-N
Compound name
1-[(2R,3S,4S,5R)-3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]-3-(2-fluoroethyl)-5-methylpyrimidine-2,4-dione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

304.10706 Da
Monoisotopic Mass

-1.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 305.11434 164.3
[M+Na]+ 327.09628 174.5
[M-H]- 303.09978 165.2
[M+NH4]+ 322.14088 175.9
[M+K]+ 343.07022 171.6
[M+H-H2O]+ 287.10432 156.7
[M+HCOO]- 349.10526 179.4
[M+CH3COO]- 363.12091 198.0
[M+Na-2H]- 325.08173 163.0
[M]+ 304.10651 165.7
[M]- 304.10761 165.7
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.