CID 503019

L-fd4cmp

Structural Information

Molecular Formula
C9H11FN3O6P
SMILES
C1=C[C@H](O[C@H]1COP(=O)(O)O)N2C=C(C(=NC2=O)N)F
InChI
InChI=1S/C9H11FN3O6P/c10-6-3-13(9(14)12-8(6)11)7-2-1-5(19-7)4-18-20(15,16)17/h1-3,5,7H,4H2,(H2,11,12,14)(H2,15,16,17)/t5-,7+/m1/s1
InChIKey
LQBTWLBVRAPGNJ-VDTYLAMSSA-N
Compound name
[(2R,5S)-5-(4-amino-5-fluoro-2-oxopyrimidin-1-yl)-2,5-dihydrofuran-2-yl]methyl dihydrogen phosphate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

307.03696 Da
Monoisotopic Mass

-2.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 308.04424 162.2
[M+Na]+ 330.02618 170.5
[M-H]- 306.02968 162.5
[M+NH4]+ 325.07078 173.2
[M+K]+ 346.00012 169.4
[M+H-H2O]+ 290.03422 151.6
[M+HCOO]- 352.03516 185.0
[M+CH3COO]- 366.05081 198.9
[M+Na-2H]- 328.01163 162.9
[M]+ 307.03641 162.7
[M]- 307.03751 162.7
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.