CID 16078858

Chembl222656

Structural Information

Molecular Formula
C10H14N5O3P
SMILES
C1=NC(=C2C(=N1)N(C=N2)C/C=C\CCP(=O)(O)O)N
InChI
InChI=1S/C10H14N5O3P/c11-9-8-10(13-6-12-9)15(7-14-8)4-2-1-3-5-19(16,17)18/h1-2,6-7H,3-5H2,(H2,11,12,13)(H2,16,17,18)/b2-1-
InChIKey
JMUAMLDTUJBCES-UPHRSURJSA-N
Compound name
[(Z)-5-(6-aminopurin-9-yl)pent-3-enyl]phosphonic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

2
References

2
Patents

283.08344 Da
Monoisotopic Mass

-1.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 284.09072 165.6
[M+Na]+ 306.07266 174.2
[M-H]- 282.07616 161.3
[M+NH4]+ 301.11726 177.5
[M+K]+ 322.04660 169.9
[M+H-H2O]+ 266.08070 155.0
[M+HCOO]- 328.08164 187.9
[M+CH3COO]- 342.09729 195.7
[M+Na-2H]- 304.05811 168.6
[M]+ 283.08289 166.8
[M]- 283.08399 166.8
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.