CID 460253

Jca-305

Structural Information

Molecular Formula
C15H23FN3O7PS
SMILES
CCOP(=O)(OC[C@@H]1[C@H](C[C@@H](O1)N2C=C(C(=O)NC2=O)C)F)SCC(=O)NC
InChI
InChI=1S/C15H23FN3O7PS/c1-4-24-27(23,28-8-12(20)17-3)25-7-11-10(16)5-13(26-11)19-6-9(2)14(21)18-15(19)22/h6,10-11,13H,4-5,7-8H2,1-3H3,(H,17,20)(H,18,21,22)/t10-,11+,13+,27?/m0/s1
InChIKey
ZWXBPBHAODJCHU-KJWDLOILSA-N
Compound name
2-[ethoxy-[[(2R,3S,5R)-3-fluoro-5-(5-methyl-2,4-dioxopyrimidin-1-yl)oxolan-2-yl]methoxy]phosphoryl]sulfanyl-N-methylacetamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

439.09784 Da
Monoisotopic Mass

-0.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 440.10512 193.7
[M+Na]+ 462.08706 199.3
[M-H]- 438.09056 194.8
[M+NH4]+ 457.13166 200.8
[M+K]+ 478.06100 197.7
[M+H-H2O]+ 422.09510 182.7
[M+HCOO]- 484.09604 210.3
[M+CH3COO]- 498.11169 225.8
[M+Na-2H]- 460.07251 189.5
[M]+ 439.09729 199.4
[M]- 439.09839 199.4
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.