CID 510572

[(2s,4r,5r)-4-amino-5-(5-methyl-2,4-dioxo(1,3-dihydropyrimidinyl))oxolan-2-yl]methyl dihydrogen phosphate

Structural Information

Molecular Formula
C10H16N3O7P
SMILES
CC1=CN(C(=O)NC1=O)[C@H]2[C@@H](C[C@H](O2)COP(=O)(O)O)N
InChI
InChI=1S/C10H16N3O7P/c1-5-3-13(10(15)12-8(5)14)9-7(11)2-6(20-9)4-19-21(16,17)18/h3,6-7,9H,2,4,11H2,1H3,(H,12,14,15)(H2,16,17,18)/t6-,7+,9+/m0/s1
InChIKey
USQPPWYAAQNJJO-LKEWCRSYSA-N
Compound name
[(2S,4R,5R)-4-amino-5-(5-methyl-2,4-dioxopyrimidin-1-yl)oxolan-2-yl]methyl dihydrogen phosphate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

321.0726 Da
Monoisotopic Mass

-5.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 322.07988 167.8
[M+Na]+ 344.06182 175.0
[M-H]- 320.06532 167.9
[M+NH4]+ 339.10642 177.7
[M+K]+ 360.03576 173.8
[M+H-H2O]+ 304.06986 158.5
[M+HCOO]- 366.07080 188.6
[M+CH3COO]- 380.08645 200.8
[M+Na-2H]- 342.04727 167.0
[M]+ 321.07205 167.7
[M]- 321.07315 167.7
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.