CID 476085

Schembl3362119

Structural Information

Molecular Formula
C12H19N6O4P
SMILES
C1CCN(C1)C2=NC(=NC3=C2N=CN3CCOCP(=O)(O)O)N
InChI
InChI=1S/C12H19N6O4P/c13-12-15-10(17-3-1-2-4-17)9-11(16-12)18(7-14-9)5-6-22-8-23(19,20)21/h7H,1-6,8H2,(H2,13,15,16)(H2,19,20,21)
InChIKey
YZVWBWBYPGHFGN-UHFFFAOYSA-N
Compound name
2-(2-amino-6-pyrrolidin-1-ylpurin-9-yl)ethoxymethylphosphonic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

1
Patents

342.12054 Da
Monoisotopic Mass

-1.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 343.12782 175.6
[M+Na]+ 365.10976 182.0
[M-H]- 341.11326 173.6
[M+NH4]+ 360.15436 185.0
[M+K]+ 381.08370 179.3
[M+H-H2O]+ 325.11780 164.1
[M+HCOO]- 387.11874 195.1
[M+CH3COO]- 401.13439 206.6
[M+Na-2H]- 363.09521 175.2
[M]+ 342.11999 175.8
[M]- 342.12109 175.8
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

patents stripe