CID 6076

Cyclic amp

Structural Information

Molecular Formula
C10H12N5O6P
SMILES
C1[C@@H]2[C@H]([C@H]([C@@H](O2)N3C=NC4=C(N=CN=C43)N)O)OP(=O)(O1)O
InChI
InChI=1S/C10H12N5O6P/c11-8-5-9(13-2-12-8)15(3-14-5)10-6(16)7-4(20-10)1-19-22(17,18)21-7/h2-4,6-7,10,16H,1H2,(H,17,18)(H2,11,12,13)/t4-,6-,7-,10-/m1/s1
InChIKey
IVOMOUWHDPKRLL-KQYNXXCUSA-N
Compound name
(4aR,6R,7R,7aS)-6-(6-aminopurin-9-yl)-2-hydroxy-2-oxo-4a,6,7,7a-tetrahydro-4H-furo[3,2-d][1,3,2]dioxaphosphinin-7-ol
Related CIDs

2D Structure

compound 2d structure
9
Annotation Hits

73389
References

71322
Patents

329.05252 Da
Monoisotopic Mass

-2.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 330.05980 169.3
[M+Na]+ 352.04174 178.8
[M-H]- 328.04524 171.7
[M+NH4]+ 347.08634 179.6
[M+K]+ 368.01568 179.4
[M+H-H2O]+ 312.04978 159.6
[M+HCOO]- 374.05072 186.5
[M+CH3COO]- 388.06637 179.4
[M+Na-2H]- 350.02719 169.8
[M]+ 329.05197 170.9
[M]- 329.05307 170.9
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.