CID 135435099

2-[(2-amino-6-oxo-1h-purin-9-yl)methoxy]ethoxy-ethoxycarbonyl-phosphinic acid

Structural Information

Molecular Formula
C11H16N5O7P
SMILES
CCOC(=O)P(=O)(O)OCCOCN1C=NC2=C1N=C(NC2=O)N
InChI
InChI=1S/C11H16N5O7P/c1-2-22-11(18)24(19,20)23-4-3-21-6-16-5-13-7-8(16)14-10(12)15-9(7)17/h5H,2-4,6H2,1H3,(H,19,20)(H3,12,14,15,17)
InChIKey
YAXITXMIECZPKN-UHFFFAOYSA-N
Compound name
2-[(2-amino-6-oxo-1H-purin-9-yl)methoxy]ethoxy-ethoxycarbonylphosphinic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

361.07874 Da
Monoisotopic Mass

-2.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 362.08602 176.0
[M+Na]+ 384.06796 183.5
[M-H]- 360.07146 172.2
[M+NH4]+ 379.11256 184.3
[M+K]+ 400.04190 182.2
[M+H-H2O]+ 344.07600 165.2
[M+HCOO]- 406.07694 197.8
[M+CH3COO]- 420.09259 209.4
[M+Na-2H]- 382.05341 178.3
[M]+ 361.07819 182.0
[M]- 361.07929 182.0
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.