CID 472249

Chembl302191

Structural Information

Molecular Formula
C11H19N6O4P
SMILES
CC(C)OP(=O)(COCCN1C=NC2=C(N=C(N=C21)N)N)O
InChI
InChI=1S/C11H19N6O4P/c1-7(2)21-22(18,19)6-20-4-3-17-5-14-8-9(12)15-11(13)16-10(8)17/h5,7H,3-4,6H2,1-2H3,(H,18,19)(H4,12,13,15,16)
InChIKey
UYXUIPRQTAPIHZ-UHFFFAOYSA-N
Compound name
2-(2,6-diaminopurin-9-yl)ethoxymethyl-propan-2-yloxyphosphinic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

330.12054 Da
Monoisotopic Mass

-1.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 331.12782 175.0
[M+Na]+ 353.10976 182.5
[M-H]- 329.11326 172.1
[M+NH4]+ 348.15436 185.2
[M+K]+ 369.08370 180.6
[M+H-H2O]+ 313.11780 164.0
[M+HCOO]- 375.11874 197.9
[M+CH3COO]- 389.13439 211.8
[M+Na-2H]- 351.09521 176.5
[M]+ 330.11999 178.7
[M]- 330.12109 178.7
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.