CID 135508864

[(2s,6s)-6-[(2-amino-6-oxo-1h-purin-9-yl)methyl]tetrahydropyran-2-yl]phosphonic acid

Structural Information

Molecular Formula
C11H16N5O5P
SMILES
C1C[C@H](O[C@H](C1)P(=O)(O)O)CN2C=NC3=C2N=C(NC3=O)N
InChI
InChI=1S/C11H16N5O5P/c12-11-14-9-8(10(17)15-11)13-5-16(9)4-6-2-1-3-7(21-6)22(18,19)20/h5-7H,1-4H2,(H2,18,19,20)(H3,12,14,15,17)/t6-,7-/m0/s1
InChIKey
PNYOMXLRXBGLKP-BQBZGAKWSA-N
Compound name
[(2S,6S)-6-[(2-amino-6-oxo-1H-purin-9-yl)methyl]oxan-2-yl]phosphonic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

329.0889 Da
Monoisotopic Mass

-2.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 330.09618 174.4
[M+Na]+ 352.07812 181.6
[M-H]- 328.08162 172.7
[M+NH4]+ 347.12272 181.9
[M+K]+ 368.05206 178.6
[M+H-H2O]+ 312.08616 163.5
[M+HCOO]- 374.08710 191.2
[M+CH3COO]- 388.10275 202.3
[M+Na-2H]- 350.06357 175.3
[M]+ 329.08835 171.6
[M]- 329.08945 171.6
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.