CID 439424

Pseudouridine 5'-phosphate

Structural Information

Molecular Formula
C9H13N2O9P
SMILES
C1=C(C(=O)NC(=O)N1)[C@H]2[C@@H]([C@@H]([C@H](O2)COP(=O)(O)O)O)O
InChI
InChI=1S/C9H13N2O9P/c12-5-4(2-19-21(16,17)18)20-7(6(5)13)3-1-10-9(15)11-8(3)14/h1,4-7,12-13H,2H2,(H2,16,17,18)(H2,10,11,14,15)/t4-,5-,6-,7+/m1/s1
InChIKey
MOBMOJGXNHLLIR-GBNDHIKLSA-N
Compound name
[(2R,3S,4R,5S)-5-(2,4-dioxo-1H-pyrimidin-5-yl)-3,4-dihydroxyoxolan-2-yl]methyl dihydrogen phosphate
Related CIDs

2D Structure

compound 2d structure
3
Annotation Hits

10
References

201
Patents

324.03586 Da
Monoisotopic Mass

-4.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 325.04314 166.4
[M+Na]+ 347.02508 172.1
[M+NH4]+ 342.06968 166.5
[M+K]+ 362.99902 176.4
[M-H]- 323.02858 161.8
[M+Na-2H]- 345.01053 164.0
[M]+ 324.03531 164.8
[M]- 324.03641 164.8
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