CID 135524691

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

Structural Information

Molecular Formula
C11H18N5O6P
SMILES
COCC(CCP(=O)(O)O)OCN1C=NC2=C1N=C(NC2=O)N
InChI
InChI=1S/C11H18N5O6P/c1-21-4-7(2-3-23(18,19)20)22-6-16-5-13-8-9(16)14-11(12)15-10(8)17/h5,7H,2-4,6H2,1H3,(H2,18,19,20)(H3,12,14,15,17)
InChIKey
NHQBPDZYOJRPTI-UHFFFAOYSA-N
Compound name
[3-[(2-amino-6-oxo-1H-purin-9-yl)methoxy]-4-methoxybutyl]phosphonic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

347.09946 Da
Monoisotopic Mass

-2.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 348.10674 176.3
[M+Na]+ 370.08868 183.4
[M-H]- 346.09218 171.1
[M+NH4]+ 365.13328 184.6
[M+K]+ 386.06262 181.1
[M+H-H2O]+ 330.09672 165.8
[M+HCOO]- 392.09766 196.2
[M+CH3COO]- 406.11331 206.4
[M+Na-2H]- 368.07413 177.7
[M]+ 347.09891 180.0
[M]- 347.10001 180.0
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.