CID 371489

Nsc645772

Structural Information

Molecular Formula
C11H18N5O3P
SMILES
CCOP(=O)(CCN1C=NC2=C(N=CN=C21)N)OCC
InChI
InChI=1S/C11H18N5O3P/c1-3-18-20(17,19-4-2)6-5-16-8-15-9-10(12)13-7-14-11(9)16/h7-8H,3-6H2,1-2H3,(H2,12,13,14)
InChIKey
KQGDOSXEWVSYQG-UHFFFAOYSA-N
Compound name
9-(2-diethoxyphosphorylethyl)purin-6-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

299.11472 Da
Monoisotopic Mass

-0.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 300.12200 169.4
[M+Na]+ 322.10394 178.0
[M-H]- 298.10744 167.5
[M+NH4]+ 317.14854 182.0
[M+K]+ 338.07788 175.8
[M+H-H2O]+ 282.11198 157.9
[M+HCOO]- 344.11292 194.2
[M+CH3COO]- 358.12857 204.9
[M+Na-2H]- 320.08939 172.8
[M]+ 299.11417 175.5
[M]- 299.11527 175.5
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.