CID 135524540

Hpmpg

Structural Information

Molecular Formula
C9H14N5O6P
SMILES
C1=NC2=C(N1CC(CO)OCP(=O)(O)O)N=C(NC2=O)N
InChI
InChI=1S/C9H14N5O6P/c10-9-12-7-6(8(16)13-9)11-3-14(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
VXDNQJCXIVLMQW-UHFFFAOYSA-N
Compound name
[1-(2-amino-6-oxo-1H-purin-9-yl)-3-hydroxypropan-2-yl]oxymethylphosphonic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

19
References

371
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

literature stripe

Patent stripe

patents stripe