CID 389448

Nsc685582

Structural Information

Molecular Formula
C21H35FN3O10P
SMILES
CC(C)(C)C(=O)OCOP(=O)(OCC1C(CC(O1)N2C=CC(NC2=O)N)F)OCOC(=O)C(C)(C)C
InChI
InChI=1S/C21H35FN3O10P/c1-20(2,3)17(26)30-11-33-36(29,34-12-31-18(27)21(4,5)6)32-10-14-13(22)9-16(35-14)25-8-7-15(23)24-19(25)28/h7-8,13-16H,9-12,23H2,1-6H3,(H,24,28)
InChIKey
DBWNOHTTXRGCNB-UHFFFAOYSA-N
Compound name
[[5-(6-amino-2-oxo-1,6-dihydropyrimidin-3-yl)-3-fluorooxolan-2-yl]methoxy-(2,2-dimethylpropanoyloxymethoxy)phosphoryl]oxymethyl 2,2-dimethylpropanoate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

539.2044 Da
Monoisotopic Mass

1.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 540.21168 218.7
[M+Na]+ 562.19362 218.8
[M-H]- 538.19712 218.2
[M+NH4]+ 557.23822 213.8
[M+K]+ 578.16756 221.9
[M+H-H2O]+ 522.20166 208.7
[M+HCOO]- 584.20260 229.0
[M+CH3COO]- 598.21825 245.8
[M+Na-2H]- 560.17907 216.7
[M]+ 539.20385 222.8
[M]- 539.20495 222.8
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.