CID 135398570

7665-99-8

Structural Information

Molecular Formula
C10H12N5O7P
SMILES
C1[C@@H]2[C@H]([C@H]([C@@H](O2)N3C=NC4=C3N=C(NC4=O)N)O)OP(=O)(O1)O
InChI
InChI=1S/C10H12N5O7P/c11-10-13-7-4(8(17)14-10)12-2-15(7)9-5(16)6-3(21-9)1-20-23(18,19)22-6/h2-3,5-6,9,16H,1H2,(H,18,19)(H3,11,13,14,17)/t3-,5-,6-,9-/m1/s1
InChIKey
ZOOGRGPOEVQQDX-UUOKFMHZSA-N
Compound name
9-[(4aR,6R,7R,7aS)-2,7-dihydroxy-2-oxo-4a,6,7,7a-tetrahydro-4H-furo[3,2-d][1,3,2]dioxaphosphinin-6-yl]-2-amino-1H-purin-6-one
Related CIDs

2D Structure

compound 2d structure
7
Annotation Hits

22949
References

75526
Patents

345.04742 Da
Monoisotopic Mass

-3.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 346.05470 172.9
[M+Na]+ 368.03664 182.7
[M-H]- 344.04014 174.4
[M+NH4]+ 363.08124 182.0
[M+K]+ 384.01058 182.7
[M+H-H2O]+ 328.04468 163.8
[M+HCOO]- 390.04562 188.8
[M+CH3COO]- 404.06127 182.4
[M+Na-2H]- 366.02209 172.7
[M]+ 345.04687 173.9
[M]- 345.04797 173.9
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.