CID 115296

31966-52-6

Structural Information

Molecular Formula
C10H11N8O6P
SMILES
C1[C@@H]2[C@H]([C@H]([C@@H](O2)N3C4=NC=NC(=C4N=C3N=[N+]=[N-])N)O)OP(=O)(O1)O
InChI
InChI=1S/C10H11N8O6P/c11-7-4-8(14-2-13-7)18(10(15-4)16-17-12)9-5(19)6-3(23-9)1-22-25(20,21)24-6/h2-3,5-6,9,19H,1H2,(H,20,21)(H2,11,13,14)/t3-,5-,6-,9-/m1/s1
InChIKey
KTMLKBFMGWQTEK-UUOKFMHZSA-N
Compound name
(4aR,6R,7R,7aS)-6-(6-amino-8-azidopurin-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
1
Annotation Hits

119
References

25
Patents

370.05392 Da
Monoisotopic Mass

-1.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 371.06120 174.1
[M+Na]+ 393.04314 183.2
[M+NH4]+ 388.08774 178.6
[M+K]+ 409.01708 186.8
[M-H]- 369.04664 179.6
[M+Na-2H]- 391.02859 175.0
[M]+ 370.05337 176.3
[M]- 370.05447 176.3
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

patents stripe