CID 136144476

15569-30-9

Structural Information

Molecular Formula
C10H11N4O7P
SMILES
C1=NC2=C(C(=O)N1)N=CN2[C@H]3[C@H]4[C@@H]([C@H](O3)CO)OP(=O)(O4)O
InChI
InChI=1S/C10H11N4O7P/c15-1-4-6-7(21-22(17,18)20-6)10(19-4)14-3-13-5-8(14)11-2-12-9(5)16/h2-4,6-7,10,15H,1H2,(H,17,18)(H,11,12,16)/t4-,6-,7-,10-/m1/s1
InChIKey
SBJVDTBACUMFFD-KQYNXXCUSA-N
Compound name
9-[(3aR,4R,6R,6aR)-2-hydroxy-6-(hydroxymethyl)-2-oxo-3a,4,6,6a-tetrahydrofuro[3,4-d][1,3,2]dioxaphosphol-4-yl]-1H-purin-6-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

16
Patents

330.03653 Da
Monoisotopic Mass

-2.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 331.04381 166.4
[M+Na]+ 353.02575 175.5
[M+NH4]+ 348.07035 170.8
[M+K]+ 368.99969 179.6
[M-H]- 329.02925 167.2
[M+Na-2H]- 351.01120 165.6
[M]+ 330.03598 167.5
[M]- 330.03708 167.5
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

patents stripe