CID 172915

4hkp

Structural Information

Molecular Formula
C9H14N3O9P
SMILES
C1=C(C(=NC(=O)N1[C@H]2[C@@H]([C@@H]([C@H](O2)COP(=O)(O)O)O)O)N)O
InChI
InChI=1S/C9H14N3O9P/c10-7-3(13)1-12(9(16)11-7)8-6(15)5(14)4(21-8)2-20-22(17,18)19/h1,4-6,8,13-15H,2H2,(H2,10,11,16)(H2,17,18,19)/t4-,5-,6-,8-/m1/s1
InChIKey
QONOHPMEMVHOPP-UAKXSSHOSA-N
Compound name
[(2R,3S,4R,5R)-5-(4-amino-5-hydroxy-2-oxopyrimidin-1-yl)-3,4-dihydroxyoxolan-2-yl]methyl dihydrogen phosphate
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

1
References

6
Patents

339.04675 Da
Monoisotopic Mass

-4.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 340.05403 169.2
[M+Na]+ 362.03597 175.6
[M-H]- 338.03947 167.1
[M+NH4]+ 357.08057 176.8
[M+K]+ 378.00991 175.4
[M+H-H2O]+ 322.04401 160.0
[M+HCOO]- 384.04495 187.2
[M+CH3COO]- 398.06060 201.4
[M+Na-2H]- 360.02142 168.1
[M]+ 339.04620 168.9
[M]- 339.04730 168.9
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.