CID 16728930

9h-purin-6-amine, 9-[2,5-anhydro-3-o-(phosphonomethyl)-.alpha.-l-arabinofuranosyl]-

Structural Information

Molecular Formula
C11H14N5O6P
SMILES
C1[C@H]2[C@@H]([C@@H](O1)[C@@H](O2)N3C=NC4=C(N=CN=C43)N)OCP(=O)(O)O
InChI
InChI=1S/C11H14N5O6P/c12-9-6-10(14-2-13-9)16(3-15-6)11-8-7(5(22-11)1-20-8)21-4-23(17,18)19/h2-3,5,7-8,11H,1,4H2,(H2,12,13,14)(H2,17,18,19)/t5-,7-,8+,11+/m0/s1
InChIKey
ABUVJLWEDMJHRN-WOIOKPISSA-N
Compound name
[(1S,3R,4R,7S)-3-(6-aminopurin-9-yl)-2,5-dioxabicyclo[2.2.1]heptan-7-yl]oxymethylphosphonic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

343.06818 Da
Monoisotopic Mass

-2.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 344.07546 170.7
[M+Na]+ 366.05740 178.3
[M-H]- 342.06090 171.6
[M+NH4]+ 361.10200 182.1
[M+K]+ 382.03134 179.4
[M+H-H2O]+ 326.06544 162.8
[M+HCOO]- 388.06638 189.0
[M+CH3COO]- 402.08203 207.1
[M+Na-2H]- 364.04285 171.2
[M]+ 343.06763 174.7
[M]- 343.06873 174.7
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.