CID 496318

Nsc685581

Structural Information

Molecular Formula
C17H24FN2O10P
SMILES
CC(C)(C)C(=O)OC1CCOP(=O)(O1)OC[C@H]2[C@@H](C[C@H](O2)N3C=C(C(=O)NC3=O)F)O
InChI
InChI=1S/C17H24FN2O10P/c1-17(2,3)15(23)29-13-4-5-26-31(25,30-13)27-8-11-10(21)6-12(28-11)20-7-9(18)14(22)19-16(20)24/h7,10-13,21H,4-6,8H2,1-3H3,(H,19,22,24)/t10-,11+,12+,13?,31?/m1/s1
InChIKey
GYKIERBFEKIRBT-ZWYQKOFLSA-N
Compound name
[2-[[(2S,3R,5S)-5-(5-fluoro-2,4-dioxopyrimidin-1-yl)-3-hydroxyoxolan-2-yl]methoxy]-2-oxo-1,3,2lambda5-dioxaphosphinan-4-yl] 2,2-dimethylpropanoate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

466.11526 Da
Monoisotopic Mass

-0.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 467.12254 199.7
[M+Na]+ 489.10448 205.0
[M-H]- 465.10798 203.9
[M+NH4]+ 484.14908 203.5
[M+K]+ 505.07842 207.8
[M+H-H2O]+ 449.11252 189.6
[M+HCOO]- 511.11346 213.0
[M+CH3COO]- 525.12911 227.3
[M+Na-2H]- 487.08993 197.7
[M]+ 466.11471 202.7
[M]- 466.11581 202.7
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.