CID 25245836

Dxmp

Structural Information

Molecular Formula
C10H13N4O8P
SMILES
C1C(C(OC1N2C=NC3=C2NC(=O)NC3=O)COP(=O)(O)O)O
InChI
InChI=1S/C10H13N4O8P/c15-4-1-6(22-5(4)2-21-23(18,19)20)14-3-11-7-8(14)12-10(17)13-9(7)16/h3-6,15H,1-2H2,(H2,18,19,20)(H2,12,13,16,17)
InChIKey
RTWWRSBEQVIVBY-UHFFFAOYSA-N
Compound name
[5-(2,6-dioxo-3H-purin-9-yl)-3-hydroxyoxolan-2-yl]methyl dihydrogen phosphate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

348.0471 Da
Monoisotopic Mass

-2.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 349.05438 171.8
[M+Na]+ 371.03632 178.7
[M+NH4]+ 366.08092 172.2
[M+K]+ 387.01026 184.4
[M-H]- 347.03982 167.5
[M+Na-2H]- 369.02177 170.0
[M]+ 348.04655 170.6
[M]- 348.04765 170.6
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.