CID 72254

Hpmpdap

Structural Information

Molecular Formula
C9H15N6O5P
SMILES
C1=NC2=C(N=C(N=C2N1C[C@@H](CO)OCP(=O)(O)O)N)N
InChI
InChI=1S/C9H15N6O5P/c10-7-6-8(14-9(11)13-7)15(3-12-6)1-5(2-16)20-4-21(17,18)19/h3,5,16H,1-2,4H2,(H2,17,18,19)(H4,10,11,13,14)/t5-/m0/s1
InChIKey
XGTJCNSZEASLLL-YFKPBYRVSA-N
Compound name
[(2S)-1-(2,6-diaminopurin-9-yl)-3-hydroxypropan-2-yl]oxymethylphosphonic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

21
References

399
Patents

318.08417 Da
Monoisotopic Mass

-3.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 319.09145 168.5
[M+Na]+ 341.07339 175.6
[M-H]- 317.07689 163.3
[M+NH4]+ 336.11799 177.6
[M+K]+ 357.04733 173.5
[M+H-H2O]+ 301.08143 158.2
[M+HCOO]- 363.08237 189.2
[M+CH3COO]- 377.09802 204.1
[M+Na-2H]- 339.05884 170.4
[M]+ 318.08362 169.1
[M]- 318.08472 169.1
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.