CID 135508788

[(2s,4r)-4-(2-amino-6-oxo-1h-purin-9-yl)tetrahydrofuran-2-yl]phosphonic acid

Structural Information

Molecular Formula
C9H12N5O5P
SMILES
C1[C@H](CO[C@H]1P(=O)(O)O)N2C=NC3=C2N=C(NC3=O)N
InChI
InChI=1S/C9H12N5O5P/c10-9-12-7-6(8(15)13-9)11-3-14(7)4-1-5(19-2-4)20(16,17)18/h3-5H,1-2H2,(H2,16,17,18)(H3,10,12,13,15)/t4-,5+/m1/s1
InChIKey
HSNAGVYIOMOUMF-UHNVWZDZSA-N
Compound name
[(2S,4R)-4-(2-amino-6-oxo-1H-purin-9-yl)oxolan-2-yl]phosphonic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

301.05762 Da
Monoisotopic Mass

-2.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 302.06490 163.7
[M+Na]+ 324.04684 172.2
[M-H]- 300.05034 163.1
[M+NH4]+ 319.09144 174.3
[M+K]+ 340.02078 170.2
[M+H-H2O]+ 284.05488 154.1
[M+HCOO]- 346.05582 183.4
[M+CH3COO]- 360.07147 195.9
[M+Na-2H]- 322.03229 164.1
[M]+ 301.05707 162.4
[M]- 301.05817 162.4
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.