CID 3010374

(6r,7r)-2-hydroxy-6-[6-(hydroxyamino)purin-9-yl]-2-oxo-4a,6,7,7a-tetrahydro-4h-furo[3,2-d][1,3,2]dioxaphosphinin-7-ol

Structural Information

Molecular Formula
C10H12N5O7P
SMILES
C1C2C([C@H]([C@@H](O2)N3C=NC4=C(N=CN=C43)NO)O)OP(=O)(O1)O
InChI
InChI=1S/C10H12N5O7P/c16-6-7-4(1-20-23(18,19)22-7)21-10(6)15-3-13-5-8(14-17)11-2-12-9(5)15/h2-4,6-7,10,16-17H,1H2,(H,18,19)(H,11,12,14)/t4?,6-,7?,10-/m1/s1
InChIKey
HUMOHIGHGYMFMP-NKUCDSKESA-N
Compound name
(6R,7R)-2-hydroxy-6-[6-(hydroxyamino)purin-9-yl]-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

1
References

0
Patents

345.04742 Da
Monoisotopic Mass

-2.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 346.05470 170.5
[M+Na]+ 368.03664 179.2
[M-H]- 344.04014 172.1
[M+NH4]+ 363.08124 179.6
[M+K]+ 384.01058 180.1
[M+H-H2O]+ 328.04468 161.0
[M+HCOO]- 390.04562 187.0
[M+CH3COO]- 404.06127 180.1
[M+Na-2H]- 366.02209 172.1
[M]+ 345.04687 172.7
[M]- 345.04797 172.7
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.