CID 6474315

Chembl30128

Structural Information

Molecular Formula
C9H12N5O5P
SMILES
C1=NC(=C2C(=N1)N(C=N2)OC(CO)/C=C/P(=O)(O)O)N
InChI
InChI=1S/C9H12N5O5P/c10-8-7-9(12-4-11-8)14(5-13-7)19-6(3-15)1-2-20(16,17)18/h1-2,4-6,15H,3H2,(H2,10,11,12)(H2,16,17,18)/b2-1+
InChIKey
IDOLXIZHUZCUIL-OWOJBTEDSA-N
Compound name
[(E)-3-(6-aminopurin-9-yl)oxy-4-hydroxybut-1-enyl]phosphonic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

301.05762 Da
Monoisotopic Mass

-1.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 302.06490 165.1
[M+Na]+ 324.04684 172.8
[M-H]- 300.05034 159.9
[M+NH4]+ 319.09144 175.2
[M+K]+ 340.02078 170.0
[M+H-H2O]+ 284.05488 154.9
[M+HCOO]- 346.05582 185.7
[M+CH3COO]- 360.07147 196.1
[M+Na-2H]- 322.03229 167.8
[M]+ 301.05707 166.3
[M]- 301.05817 166.3
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.