CID 489848

Chembl41738

Structural Information

Molecular Formula
C8H11N6O5P
SMILES
C1=NC(=C2C(=N1)N(C=N2)NC(=O)COCP(=O)(O)O)N
InChI
InChI=1S/C8H11N6O5P/c9-7-6-8(11-2-10-7)14(3-12-6)13-5(15)1-19-4-20(16,17)18/h2-3H,1,4H2,(H,13,15)(H2,9,10,11)(H2,16,17,18)
InChIKey
VJFKYXLEKQDJIU-UHFFFAOYSA-N
Compound name
[2-[(6-aminopurin-9-yl)amino]-2-oxoethoxy]methylphosphonic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

302.05286 Da
Monoisotopic Mass

-2.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 303.06014 161.4
[M+Na]+ 325.04208 169.0
[M-H]- 301.04558 157.8
[M+NH4]+ 320.08668 171.8
[M+K]+ 341.01602 167.4
[M+H-H2O]+ 285.05012 150.8
[M+HCOO]- 347.05106 184.9
[M+CH3COO]- 361.06671 200.8
[M+Na-2H]- 323.02753 166.1
[M]+ 302.05231 163.4
[M]- 302.05341 163.4
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.