CID 135480701

7-hpmpg

Structural Information

Molecular Formula
C9H14N5O6P
SMILES
C1=NC2=C(N1CC(CO)OCP(=O)(O)O)C(=O)NC(=N2)N
InChI
InChI=1S/C9H14N5O6P/c10-9-12-7-6(8(16)13-9)14(3-11-7)1-5(2-15)20-4-21(17,18)19/h3,5,15H,1-2,4H2,(H2,17,18,19)(H3,10,12,13,16)
InChIKey
HUJNXYXDGSPLEO-UHFFFAOYSA-N
Compound name
[1-(2-amino-6-oxo-1H-purin-7-yl)-3-hydroxypropan-2-yl]oxymethylphosphonic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

319.06818 Da
Monoisotopic Mass

-3.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 320.07546 168.3
[M+Na]+ 342.05740 175.8
[M-H]- 318.06090 162.1
[M+NH4]+ 337.10200 177.0
[M+K]+ 358.03134 173.2
[M+H-H2O]+ 302.06544 158.4
[M+HCOO]- 364.06638 187.3
[M+CH3COO]- 378.08203 198.6
[M+Na-2H]- 340.04285 170.1
[M]+ 319.06763 169.4
[M]- 319.06873 169.4
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.