CID 135524683

[4-[(2-amino-6-oxo-1h-purin-9-yl)methoxy]-3-hydroxy-butyl]phosphonic acid

Structural Information

Molecular Formula
C10H16N5O6P
SMILES
C1=NC2=C(N1COCC(CCP(=O)(O)O)O)N=C(NC2=O)N
InChI
InChI=1S/C10H16N5O6P/c11-10-13-8-7(9(17)14-10)12-4-15(8)5-21-3-6(16)1-2-22(18,19)20/h4,6,16H,1-3,5H2,(H2,18,19,20)(H3,11,13,14,17)
InChIKey
PQYVMJJSYGWOHK-UHFFFAOYSA-N
Compound name
[4-[(2-amino-6-oxo-1H-purin-9-yl)methoxy]-3-hydroxybutyl]phosphonic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

333.08383 Da
Monoisotopic Mass

-3.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 334.09111 172.6
[M+Na]+ 356.07305 179.7
[M-H]- 332.07655 166.3
[M+NH4]+ 351.11765 180.8
[M+K]+ 372.04699 176.9
[M+H-H2O]+ 316.08109 162.6
[M+HCOO]- 378.08203 191.4
[M+CH3COO]- 392.09768 201.5
[M+Na-2H]- 354.05850 174.0
[M]+ 333.08328 174.1
[M]- 333.08438 174.1
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.