CID 454924

D4a 5'-opo2h2(me)

Structural Information

Molecular Formula
C11H14N5O4P
SMILES
CP(=O)(O)OC[C@@H]1C=C[C@@H](O1)N2C=NC3=C(N=CN=C32)N
InChI
InChI=1S/C11H14N5O4P/c1-21(17,18)19-4-7-2-3-8(20-7)16-6-15-9-10(12)13-5-14-11(9)16/h2-3,5-8H,4H2,1H3,(H,17,18)(H2,12,13,14)/t7-,8+/m0/s1
InChIKey
LXUHXEUEFATWDU-JGVFFNPUSA-N
Compound name
[(2S,5R)-5-(6-aminopurin-9-yl)-2,5-dihydrofuran-2-yl]methoxy-methylphosphinic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

311.07834 Da
Monoisotopic Mass

-1.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 312.08562 167.7
[M+Na]+ 334.06756 176.5
[M-H]- 310.07106 169.4
[M+NH4]+ 329.11216 179.3
[M+K]+ 350.04150 175.3
[M+H-H2O]+ 294.07560 157.0
[M+HCOO]- 356.07654 190.9
[M+CH3COO]- 370.09219 202.6
[M+Na-2H]- 332.05301 169.3
[M]+ 311.07779 171.0
[M]- 311.07889 171.0
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

No patent data available for this compound.