CID 15954255

99606-21-0

Structural Information

Molecular Formula
C11H15N2O7P
SMILES
CCC1=CN(C(=O)NC1=O)[C@H]2C[C@H]3[C@H](O2)COP(=O)(O3)O
InChI
InChI=1S/C11H15N2O7P/c1-2-6-4-13(11(15)12-10(6)14)9-3-7-8(19-9)5-18-21(16,17)20-7/h4,7-9H,2-3,5H2,1H3,(H,16,17)(H,12,14,15)/t7-,8+,9+/m0/s1
InChIKey
DQBNIZSONOLUGO-DJLDLDEBSA-N
Compound name
1-[(4aR,6R,7aS)-2-hydroxy-2-oxo-4a,6,7,7a-tetrahydro-4H-furo[3,2-d][1,3,2]dioxaphosphinin-6-yl]-5-ethylpyrimidine-2,4-dione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

318.06168 Da
Monoisotopic Mass

-1.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 319.06896 167.2
[M+Na]+ 341.05090 176.1
[M-H]- 317.05440 170.8
[M+NH4]+ 336.09550 178.7
[M+K]+ 357.02484 176.8
[M+H-H2O]+ 301.05894 158.3
[M+HCOO]- 363.05988 185.3
[M+CH3COO]- 377.07553 199.8
[M+Na-2H]- 339.03635 168.4
[M]+ 318.06113 169.3
[M]- 318.06223 169.3
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.