CID 477418

(2r,5r)-1-[2,5-dihydro-5-(phosphonomethoxy)-2-furanyl]-5-ethylcytosine

Structural Information

Molecular Formula
C11H16N3O6P
SMILES
CCC1=CN(C(=O)N=C1N)[C@H]2C=C[C@H](O2)OCP(=O)(O)O
InChI
InChI=1S/C11H16N3O6P/c1-2-7-5-14(11(15)13-10(7)12)8-3-4-9(20-8)19-6-21(16,17)18/h3-5,8-9H,2,6H2,1H3,(H2,12,13,15)(H2,16,17,18)/t8-,9+/m1/s1
InChIKey
ZNJGCYABDZRJOK-BDAKNGLRSA-N
Compound name
[(2R,5R)-5-(4-amino-5-ethyl-2-oxopyrimidin-1-yl)-2,5-dihydrofuran-2-yl]oxymethylphosphonic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

317.07767 Da
Monoisotopic Mass

-1.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 318.08495 169.1
[M+Na]+ 340.06689 176.5
[M-H]- 316.07039 170.5
[M+NH4]+ 335.11149 179.9
[M+K]+ 356.04083 175.6
[M+H-H2O]+ 300.07493 159.1
[M+HCOO]- 362.07587 192.3
[M+CH3COO]- 376.09152 202.3
[M+Na-2H]- 338.05234 169.5
[M]+ 317.07712 171.4
[M]- 317.07822 171.4
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.