CID 486178

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

Structural Information

Molecular Formula
C10H14N3O8P
SMILES
C1=CN(C(=O)N=C1N)[C@H]2[C@H]3[C@@H]([C@H](O2)CO)OC(O3)P(=O)(O)O
InChI
InChI=1S/C10H14N3O8P/c11-5-1-2-13(9(15)12-5)8-7-6(4(3-14)19-8)20-10(21-7)22(16,17)18/h1-2,4,6-8,10,14H,3H2,(H2,11,12,15)(H2,16,17,18)/t4-,6-,7-,8-,10?/m1/s1
InChIKey
VMTRFHQPQRCJMC-OYMHBMIISA-N
Compound name
[(3aR,4R,6R,6aR)-4-(4-amino-2-oxopyrimidin-1-yl)-6-(hydroxymethyl)-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

335.05185 Da
Monoisotopic Mass

-3.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 336.05913 171.2
[M+Na]+ 358.04107 177.9
[M-H]- 334.04457 173.5
[M+NH4]+ 353.08567 180.3
[M+K]+ 374.01501 179.5
[M+H-H2O]+ 318.04911 163.7
[M+HCOO]- 380.05005 188.9
[M+CH3COO]- 394.06570 203.6
[M+Na-2H]- 356.02652 171.4
[M]+ 335.05130 172.5
[M]- 335.05240 172.5
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.