CID 486181

[(3ar,4r,6r,6ar)-4-(2,4-dioxopyrimidin-1-yl)-6-(hydroxymethyl)-2-methyl-3a,4,6,6a-tetrahydrofuro[3,4-d][1,3]dioxol-2-yl]phosphonic acid

Structural Information

Molecular Formula
C11H15N2O9P
SMILES
CC1(O[C@@H]2[C@H](O[C@H]([C@@H]2O1)N3C=CC(=O)NC3=O)CO)P(=O)(O)O
InChI
InChI=1S/C11H15N2O9P/c1-11(23(17,18)19)21-7-5(4-14)20-9(8(7)22-11)13-3-2-6(15)12-10(13)16/h2-3,5,7-9,14H,4H2,1H3,(H,12,15,16)(H2,17,18,19)/t5-,7-,8-,9-,11?/m1/s1
InChIKey
JEVGSCPRVLSIAP-LPQJYZDESA-N
Compound name
[(3aR,4R,6R,6aR)-4-(2,4-dioxopyrimidin-1-yl)-6-(hydroxymethyl)-2-methyl-3a,4,6,6a-tetrahydrofuro[3,4-d][1,3]dioxol-2-yl]phosphonic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

350.0515 Da
Monoisotopic Mass

-3.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 351.05878 171.5
[M+Na]+ 373.04072 179.3
[M-H]- 349.04422 173.1
[M+NH4]+ 368.08532 181.8
[M+K]+ 389.01466 180.7
[M+H-H2O]+ 333.04876 165.4
[M+HCOO]- 395.04970 187.3
[M+CH3COO]- 409.06535 200.8
[M+Na-2H]- 371.02617 173.4
[M]+ 350.05095 174.4
[M]- 350.05205 174.4
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.