CID 488463

Chembl121760

Structural Information

Molecular Formula
C11H15N2O6P
SMILES
CC1=CN(C(=O)NC1=O)[C@H]2C=C[C@H](O2)CCP(=O)(O)O
InChI
InChI=1S/C11H15N2O6P/c1-7-6-13(11(15)12-10(7)14)9-3-2-8(19-9)4-5-20(16,17)18/h2-3,6,8-9H,4-5H2,1H3,(H,12,14,15)(H2,16,17,18)/t8-,9+/m0/s1
InChIKey
RYECIBRTQHIRCQ-DTWKUNHWSA-N
Compound name
2-[(2R,5R)-5-(5-methyl-2,4-dioxopyrimidin-1-yl)-2,5-dihydrofuran-2-yl]ethylphosphonic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

302.06677 Da
Monoisotopic Mass

-1.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 303.07405 165.2
[M+Na]+ 325.05599 173.5
[M-H]- 301.05949 165.8
[M+NH4]+ 320.10059 176.5
[M+K]+ 341.02993 171.4
[M+H-H2O]+ 285.06403 156.0
[M+HCOO]- 347.06497 186.7
[M+CH3COO]- 361.08062 194.4
[M+Na-2H]- 323.04144 165.4
[M]+ 302.06622 166.8
[M]- 302.06732 166.8
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.