CID 3009294

4-(2,6-diaminopurin-9-yl)oxybutylphosphonic acid

Structural Information

Molecular Formula
C9H15N6O4P
SMILES
C1=NC2=C(N=C(N=C2N1OCCCCP(=O)(O)O)N)N
InChI
InChI=1S/C9H15N6O4P/c10-7-6-8(14-9(11)13-7)15(5-12-6)19-3-1-2-4-20(16,17)18/h5H,1-4H2,(H2,16,17,18)(H4,10,11,13,14)
InChIKey
XIIGZETZZWYHHQ-UHFFFAOYSA-N
Compound name
4-(2,6-diaminopurin-9-yl)oxybutylphosphonic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

2
Patents

302.08923 Da
Monoisotopic Mass

-1.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 303.09651 166.2
[M+Na]+ 325.07845 174.5
[M-H]- 301.08195 162.2
[M+NH4]+ 320.12305 176.9
[M+K]+ 341.05239 171.6
[M+H-H2O]+ 285.08649 155.7
[M+HCOO]- 347.08743 189.3
[M+CH3COO]- 361.10308 202.8
[M+Na-2H]- 323.06390 169.3
[M]+ 302.08868 167.9
[M]- 302.08978 167.9
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