CID 13945

1032-65-1

Structural Information

Molecular Formula
C9H14N3O7P
SMILES
C1[C@@H]([C@H](O[C@H]1N2C=CC(=NC2=O)N)COP(=O)(O)O)O
InChI
InChI=1S/C9H14N3O7P/c10-7-1-2-12(9(14)11-7)8-3-5(13)6(19-8)4-18-20(15,16)17/h1-2,5-6,8,13H,3-4H2,(H2,10,11,14)(H2,15,16,17)/t5-,6+,8+/m0/s1
InChIKey
NCMVOABPESMRCP-SHYZEUOFSA-N
Compound name
[(2R,3S,5R)-5-(4-amino-2-oxopyrimidin-1-yl)-3-hydroxyoxolan-2-yl]methyl dihydrogen phosphate
Related CIDs

2D Structure

compound 2d structure
5
Annotation Hits

328
References

10890
Patents

307.05695 Da
Monoisotopic Mass

-3.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 308.06423 164.0
[M+Na]+ 330.04617 170.4
[M+NH4]+ 325.09077 166.0
[M+K]+ 346.02011 173.2
[M-H]- 306.04967 162.2
[M+Na-2H]- 328.03162 163.9
[M]+ 307.05640 163.5
[M]- 307.05750 163.5
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

patents stripe